Author: Jessica.F

Glycosine of Debus. II. Carbon salts of tetranitrobiimidazole and methylation of nitroimidazole was written by Lehmstedt, Kurt. And the article was included in Justus Liebigs Annalen der Chemie in 1933.Name: 1-Methyl-4-nitroimidazole This article mentions the following:

The Na salt of tetranitrobiimidazole (I) and BzCl or AcCl in C₅H₅N give only the pyridine salt of I, C₆H₂O₈.2C₅H₅N, yellow, decomposes 233°; the imidazole salt, C₆H₂O₈N₈.2C₃H₄N₂, orange, decomposes 325°. The Na salt of I and Me₂SO₄, shaken at 20-5° for 5 min., give 4-methyl-1,1 ‘,5,5′-tetranitro-2,2’-biimidazole (II), crystallizing with 2 mols. H₂O, yellow, decomposes 273-4°; Na salt, crystals with 4 mols. H₂O, light brown needles; Ag salt, yellow needles. Reduction of II gives the 1,1′-diamino derivative, the Na salt crystallizing with 4 mols. H₂O as blood-red needles; the free amine is a light brown, amorphous mass. The anhydrous Na salt of II and Me₂SO₄ give, on warming on the water bath, the 4,4’di-Me derivative (III) of I, light yellow, decomposes 239-40°. The 4-Et derivative (IV) of I, crystallizing with 2 mols. H₂O, light yellow, m. 259° (decomposition); the Na salt seps. with 2 mols. H₂O; the 4,4′-di-Et derivative, light yellow, decomposes 203°. I and CH₂N₂ in absolute Et₂O give III. IV and CH₂N₂ give the 4-Me derivative of IV, decomposes 226°. III (1.7 g.) and 4.5 cc. 5 N NaOH in 30 cc. Me₂CO, shaken 15 min., give 1.25 g. of the brick-red salt, C₈H₆O₆N₆Na₂.H₂O (V); the concentrated H₂SO₄ solution (yellow) gives on pouring into H₂O, a blue dye soluble in H₂SO₄ with a violet-red color. V dissolved in H₂O without warming and shaken with 2 N HCl, gives the indigo-blue dye C₈H₁₀O₄N₄ (VI). III and hot MeOH-MeONa give 92% of 1,1′-dimethoxy-4,4′-dimethyl-5,5′-dinitro-2,2′-biimidazole, m. 242° (decomposition), warming with dilute NaOH and acidification gives VI. In 1 preparation of II there was also formed 4-methyl-4′-methylene-1,1′, 5-trinitro-2,2′ – biimidazole-5′ – nitronic acid Me ester (VII), light red, decomposes 127°, crystals with 1 mol. H₂O. 4(5)-Nitroimidazole gives a yellow Na salt, 6.75 g. of which with Me₂SO₄ gives 3.85 g. of 4-nitro-and 0.925 g. of 5-nitro-1-methylimidazole. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Name: 1-Methyl-4-nitroimidazole).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Name: 1-Methyl-4-nitroimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Molecular dynamics simulation of imidazolium-based ionic liquids. II. Transport coefficients was written by Kowsari, M. H.;Alavi, Saman;Ashrafizaadeh, Mahmud;Najafi, Bijan. And the article was included in Journal of Chemical Physics in 2009.Recommanded Product: 1-Methyl-3-propylimidazolium Chloride This article mentions the following:

A systematic mol. dynamics study is performed to determine the dynamics and transport properties of 12 room-temperature ionic liquids family with 1-alkyl-3-methylimidazolium cation, [amim]⁺ (alkyl = Me, Et, Pr, and butyl), with counterions, PF₆^–, NO₃^–, and Cl^–. The goal of the work is to provide mol. level understanding of the transport coefficients of these liquids as guidance to experimentalists on choosing anion and cation pairs to match required properties of ionic liquid solvents. In the earlier paper (Part I), we characterized the dynamics of ionic liquids and provided a detailed comparison of the diffusion coefficients for each ion using the Einstein and Green-Kubo formulas. In this second part, other transport properties of imidazolium salts are calculated, in particular, the elec. conductivity is calculated from the Nernst-Einstein and Green-Kubo formulas. The viscosity is also determined from the Stokes-Einstein relation. The results of the calculated transport coefficients are consistent with the previous computational and exptl. studies of imidazolium salts. Generally, the simulations give elec. conductivity lower than experiment while the viscosity estimate is higher than experiment Within the same cation family, the ionic liquids with the NO₃^– counterion have the highest elec. conductivities: σ[NO₃]^– > σ[PF₆]^– > σ[Cl]^–. The [dmim][X] series, due to their sym. cationic structure and good packing and the [bmim][X] series due to higher inductive van der Waals interactions of [bmim]⁺, have the highest viscosities in these ionic liquid series. Our simulations show that the major factors determining the magnitude of the self-diffusion, elec. conductivity, and viscosity are the geometric shape, ion size, and the delocalization of the ionic charge in the anion. (c) 2009 American Institute of Physics. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Recommanded Product: 1-Methyl-3-propylimidazolium Chloride).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) belongs to imidazole derivatives. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole has become an important synthon in the development of new drugs. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Recommanded Product: 1-Methyl-3-propylimidazolium Chloride

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis of ionic liquid based on polysiloxane with quaternized imidazolium moiety was written by Ichikawa, Tsukasa;Wako, Tsuyoshi;Nemoto, Nobukatsu. And the article was included in Polymer Bulletin (Heidelberg, Germany) in 2016.Computed Properties of C11H20N2 This article mentions the following:

Polysiloxane derivatives having quaternized imidazolium moieties with different length of alkyl chains ([HPImn]Cl) (n is the number of methylene group) were prepared via quaternization reaction of poly(3-chloropropylmethylsiloxane) (P1) with 1-alkylimidazole derivatives (Imns). [HPImn]Cls were obtained with high quaternization ratio from 95 to 100 mol%. The glass transition temperatures (T_gs) of a series of [HPImn]Cls were lowered with increase in the length of alkyl chain in the case of the number of methylene group from 1 to 6; however, those were a little raised when the number of methylene group was 7 and 8 plausibly owing to the effects of the van der Waals interactions among long alkyl chains. [HPImn]Cls were dissolved in high polar solvents such as methanol, DMSO, N,N-dimethylformamide and water. Also, the increase in the length of alkyl chains in [HPImn]Cls improved the solubility in low polar organic solvents such as chloroform and dichloromethane. In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7Computed Properties of C11H20N2).

1-Octyl-1H-imidazole (cas: 21252-69-7) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Computed Properties of C11H20N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Solvent effects on ¹³C and ¹⁵N shielding tensors of nitroimidazoles in the condensed phase: A sequential molecular dynamics/quantum mechanics study. [Erratum to document cited in CA142:031904] was written by Ramalho, Teodorico C.;da Cunha, Elaine F. F.;Bicca de Alencastro, Ricardo. And the article was included in Journal of Physics: Condensed Matter in 2005.SDS of cas: 3034-41-1 This article mentions the following:

The pioneering work of professors S. Canuto and K. Coutinho in proposing and applying the sequential quantum mech./mol. mechanics methodol. employed in this paper was not cited. The following references are added: [1] K. Coutinho, S. Canuto, Adv. Quantum Chem. 28, 89 (1997); [2] K. Coutinho, S. Canuto, J. Chem. Phys. 113, 9132 (2002), [3] K. Coutinho, S. Canuto, J. Chem. Phys. 112, 9874 (2000), and [4] K. Coutinho, S. Canuto, J. Mol. Struct. (Theochem) 632, 235 (2003). In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1SDS of cas: 3034-41-1).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).SDS of cas: 3034-41-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Corrosion inhibition of carbon steel in acidic environment by imidazolium ionic liquids containing vinyl-hexafluorophosphate as anion was written by Likhanova, Natalya V.;Olivares-Xometl, Octavio;Guzman-Lucero, Diego;Dominguez-Aguilar, Marco A.;Nava, Noel;Corrales-Luna, Monica;Mendoza, M. Consuelo. And the article was included in International Journal of Electrochemical Science in 2011.Formula: C9H15F6N2P This article mentions the following:

Five imidazolium-type ionic liquids, containing both N1-unsaturated chain and N3-long alkyl saturated chain as cations and hexafluorophosphate as anion (VImC_xPF₆, x = 4, 8, 12, 18 and 22), were evaluated as corrosion inhibitors for carbon steel SAE 1018 in 1.0 M H₂SO₄ solution The compounds presented relatively high inhibition efficiencies (∼81-96%) at 100 ppm as confirmed by weight loss tests and polarization curves. Synthesized inhibitors obeyed Langmuir adsorption and behaved as mixed type inhibitors, displaying phys. and chem. adsorption depending on the length of the carbon chain link to N3. Mossbauer anal. of corrosion products mainly determined the presence szomolnokite (FeSO₄.H₂O), whose content increased with aliphatic chain length suggesting that corrosion inhibition occurred by iron sulfate formation. The most effective compound (VImC₁₂PF₆) was the only that displayed the presence of alpha iron, iron hydroxide and rozenite (FeSO₄.4H₂O) as corrosion products. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-vinyl-1H-imidazol-3-ium hexafluorophosphate(V) (cas: 915358-85-9Formula: C9H15F6N2P).

1-Butyl-3-vinyl-1H-imidazol-3-ium hexafluorophosphate(V) (cas: 915358-85-9) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Imidazole is incorporated into many important biological compounds. The most pervasive is the amino acid histidine, which has an imidazole side-chain. Histidine is present in many proteins and enzymes, e.g. by binding metal cofactors, as seen in hemoglobin.Formula: C9H15F6N2P

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Gas-Phase Studies of Substrates for the DNA Mismatch Repair Enzyme MutY was written by Michelson, Anna Zhachkina;Rozenberg, Aleksandr;Tian, Yuan;Sun, Xuejun;Davis, Julianne;Francis, Anthony W.;O’Shea, Valerie L.;Halasyam, Mohan;Manlove, Amelia H.;David, Sheila S.;Lee, Jeehiun K.. And the article was included in Journal of the American Chemical Society in 2012.Application In Synthesis of 7-Methyl-1H-benzo[d]imidazole This article mentions the following:

The gas-phase thermochem. properties (tautomeric energies, acidity, and proton affinity) have been measured and calculated for adenine and six adenine analogs that were designed to test features of the catalytic mechanism used by the adenine glycosylase MutY. The gas-phase intrinsic properties are correlated to possible excision mechanisms and MutY excision rates to gain insight into the MutY mechanism. The data support a mechanism involving protonation at N7 and hydrogen bonding to N3 of adenine. We also explored the acid-catalyzed (non-enzymic) depurination of these substrates, which appears to follow a different mechanism than that employed by MutY, which we elucidate using calculations In the experiment, the researchers used many compounds, for example, 7-Methyl-1H-benzo[d]imidazole (cas: 4887-83-6Application In Synthesis of 7-Methyl-1H-benzo[d]imidazole).

7-Methyl-1H-benzo[d]imidazole (cas: 4887-83-6) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3–C6) is higher than in water and generally decreases with a The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Application In Synthesis of 7-Methyl-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Physicochemical properties of polyaniline-ionic liquid mixtures and their application in dye-sensitized solar cells was written by Attri, Pankaj;Park, Dae Hoon;Lee, Seung-Hyun;Kim, Young Sun;Kim, Young Beom;Kwon, Gi-Chung;Choi, Wooyeol;Jun, Yongseok;Lee, Hae-Seok;Choi, Eun Ha;Kim, In Tae. And the article was included in Science of Advanced Materials in 2015.Related Products of 35487-17-3 This article mentions the following:

In this study, we investigated the interactions between the ionic liquids (ILs) of ammonium and imidazolium families and polyaniline-emeraldine base [PANI (EB)]. PANI (EB) is one of the most studied conducting polymers owing to its applications in electronics, optical devices, sensors, etc. However, there is a massive scope of improvement in this area. In order to increase the utility of PANI (EB), we studied the interactions between PANI (EB) and ILs by using various techniques. Further, we studied the conductivity, morphol., and roughness of PANI (EB)-IL mixtures We observed that ammonium- and imidazolium-family ILs have the potential to interact with PANI (EB). However, after the interactions, the ammonium-family IL-PANI (EB) mixtures showed more conductivity than the imidazolium-family IL-PANI (EB) mixtures We also determined the strength of hydrogen bonding between ILs and PANI (EB) from semiempirical calculations carried out using HyperChem 7. Finally, we demonstrated that PANI (EB)-IL additives can be used as electrolytes in dye-sensitized solar cells. This study provides an insight into the combined effect of a polymer [PANI (EB)] and ILs, and this insight may generate many theor. and exptl. opportunities. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Related Products of 35487-17-3).

1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Related Products of 35487-17-3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Continuous Flow Hydroformylation of Alkenes in Supercritical Fluid-Ionic Liquid Biphasic Systems was written by Webb, Paul B.;Sellin, Murielle F.;Kunene, Thulani E.;Williamson, Sylvia;Slawin, Alexandra M. Z.;Cole-Hamilton, David J.. And the article was included in Journal of the American Chemical Society in 2003.Electric Literature of C7H13ClN2 This article mentions the following:

A process for the hydroformylation of relatively low volatility alkenes (demonstrated for 1-dodecene) in a continuous flow system is described. The catalyst is dissolved in an ionic liquid while the substrate and gaseous reagents are transported into the reactor dissolved in supercritical CO₂, which simultaneously acts as a transport vector for aldehyde products. Decompression of the fluid mixture downstream yields products which are free of both reaction solvent and catalyst. The use of rhodium complexes of triaryl phosphites as catalysts leads to ligand degradation through reaction of the ionic liquid with water and subsequent attack of the released HF on the phosphite. Sodium salts of sulfonated phosphines are insufficiently soluble in the ionic liquids to obtain acceptable rates, but replacing the sodium by a cation similar to that derived from the ionic liquid, allows good solubility and activity to be obtained. The nature of the ionic liquid is important in achieving high rates, with 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amides giving the best activity if the alkyl chain is at least C₈. Catalyst turnover frequency as high as 500 h^-1 was observed, with the better rate at higher substrate flow rate. Rhodium leaching into the product stream can be as low as 0.012 ppm, except at low partial pressures of CO/H₂, when it is significantly higher. Oxygen impurities in the CO₂ feed can lead to oxidation of the phosphine giving higher rates, lower selectivity to the linear aldehyde, increased alkene isomerization, and greater leaching of rhodium. However, under certain process conditions, the supercritical fluid-ionic liquid (SCF-IL) system can be operated continuously for several weeks without any visible sign of catalyst degradation Comparisons with com. hydroformylation processes are provided. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Electric Literature of C7H13ClN2).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Electric Literature of C7H13ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors was written by Li, Na;Yang, Hong;Liu, Ke;Zhou, Liwei;Huang, Yuting;Cao, Danyan;Li, Yanlian;Sun, Yaoliang;Yu, Aisong;Du, Zhiyan;Yu, Feng;Zhang, Ying;Wang, Bingyang;Geng, Meiyu;Li, Jian;Xiong, Bing;Xu, Shilin;Huang, Xun;Liu, Tongchao. And the article was included in Journal of Medicinal Chemistry in 2022.Safety of 4-Bromo-1-methylimidazole This article mentions the following:

A series of NSD2-PWWP1 inhibitors I (R = 4-cyanophenyl, 4-cyanonaphthalen-1-yl, 8-cyanoquinolin-5-yl, etc.; R¹ = H, OMe, F, Cl, CF₃; R² = H, Me, OMe; R³ = aminomethyl, CHO, 4-aminopiperidin-1-yl, etc.), and further structure-based optimization resulted in a potent inhibitor compound I (R = 4-cyanonaphthalen-1-yl; R¹ = R² = Me; R³ = 4-aminopiperidin-1-yl) (II), that has high selectivity toward the NSD2-PWWP1 domain were reported. The detailed biol. evaluation revealed that compound II can bind to NSD2-PWWP1 and then affect the expression of genes regulated by NSD2. The current discovery will provide a useful chem. probe to the future research in understanding the specific regulation mode of NSD2 by PWWP1 recognition and pave the way to develop potential drugs targeting NSD2 protein. In the experiment, the researchers used many compounds, for example, 4-Bromo-1-methylimidazole (cas: 25676-75-9Safety of 4-Bromo-1-methylimidazole).

4-Bromo-1-methylimidazole (cas: 25676-75-9) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3–C6) is higher than in water and generally decreases with a Imidazole also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.Safety of 4-Bromo-1-methylimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

A novel strategy for fabricating highly stretchable and highly conductive photoluminescent ionogels via an in situ self-catalytic cross-linking reaction in ionic liquids was written by Hao, Shuai;Zhang, Jianxin;Yang, Xuemeng;Li, Tianci;Song, Hongzan. And the article was included in Journal of Materials Chemistry C: Materials for Optical and Electronic Devices in 2021.Reference of 915358-85-9 This article mentions the following:

We report a new method to fabricate highly stretchable and highly conductive fluorescent ionogels via self-catalytic crosslinking of poly(ionic liquid (IL))-based copolymers containing epoxy groups in ILs without adding any conventional crosslinkers and chromophores. Here, the ILs serve as a solvent, electrolyte, and catalyst, while the product of the ring-opening reactions acts as crosslinking junctions. The results reveal that these systems are typical autocatalytic systems and that the IL anion type significantly influences the curing reaction kinetics. These ionogels exhibit excellent stretchability (>1200%), high ionic conductivity (>1 mS cm^-1), and good temperature tolerance (-40 to 200°C). Surprisingly, the special crosslinking structures make the ionogels show typical aggregation-induced emission behavior and possess tunable photoluminescence properties. Moreover, ionogel-based strain sensors exhibit fast response speed, excellent temperature tolerance and stability, and can monitor various human motions. Therefore, our study provides a facile method to utilize several distinct properties of ILs and PILs for designing multifunctional ionogels that serve as flexible conductive and fluorescent materials. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-vinyl-1H-imidazol-3-ium hexafluorophosphate(V) (cas: 915358-85-9Reference of 915358-85-9).

1-Butyl-3-vinyl-1H-imidazol-3-ium hexafluorophosphate(V) (cas: 915358-85-9) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3–C6) is higher than in water and generally decreases with a Imidazole also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.Reference of 915358-85-9

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem