Tag: 100-200

Mechanisms of N-substitution in glyoxaline derivatives. I. Introduction, and study of prototropic equilibria involving 4(5)-nitroglyoxaline was written by Grimison, A.;Ridd, J. H.;Smith, B. V.. And the article was included in Journal of the Chemical Society in 1960.Application In Synthesis of 1-Methyl-4-nitroimidazole This article mentions the following:

The orientation of N-substitution in glyoxaline derivatives was discussed in terms of the reaction mechanism and the tautomeric equilibria involved. A spectrometric study of acid-base equilibria in aqueous solutions of 4(5)-nitroglyoxaline (I) and its N-Me derivatives was reported. The basicity of the 1,5-methyl derivative (II) was greater than that of I, but the basicity of the 1,4-isomer (III) was less; these results were related to the position of tautomeric equilibrium in the parent compound A small ionic strength correction was made to obtain the thermodynamic pK values as follows (compound, medium, form, 位 max in m渭, 10^-3蔚, and pK values given): I, 0.1M NaOH, conjugate base, 350, 10.19, -; I, buffer pH 4.7, neutral molecule, 297, 6.40, 9.30; I, 5M HClO₄, conjugate acid, 269, 7.04, -0.05; II, H₂O, neutral, 303, 8.37, -; II, M HClO₄, conjugate acid, 266, 6.42, 2.13; III, H₂O, neutral, 300, 7.27, -; III, 5M HClO₄, conjugate acid, 269, 7.16, -0.53. The following indicator values were obtained based on optical ds. at 300 and 310 m渭. The spectra of the neutral mols. and the conjugate acids used in these calculations were obtained in the above conditions. A small correction was applied to the spectrum of III in 5M HClO₄, because about 2% of the neutral molecule should then be present. The protonation of I and III in mineral acids gave the following values (molarity of acid and the log ([GH₂⁺]/[GH]) for I in HClO₄, in HCl, for III in HClO₄, in HCl given): 0.25, -0.63, -, -1.02, -; 0.50, -0.25, -, -0.69, -0.75; 0.75, -0.05, -, -0.40, -0.54; 1.0, 0.18, 0.02, -0.23, -0.40; 1.3, 0.30, 0.13, -0.04, -; 1.5, 0.44, 0.24, -, 0.09; 1.6, -, -, -0.12, -; 2.0, 0.74, 0.43, 0.34, 0.08; 2.5, 0.90, 0.67, 0.53, 0.25; 3.0, 1.20, -, 0.75, 0.40. The S脢2′ mechanism appeared to occur much more readily than the S脢2 mechanism for substitution in derivatives of glyoxaline. For substitution in a glyoxaline derivative, it was easy to show that the orientation depended on the mechanism involved. The neutral mol. of I existed in solution as an equilibrium mixture of 2 tautomeric forms, both of which could lose or add a proton to form the common conjugate acid and conjugate base. The pK was determined by plotting log ([GH₂+]/[GH])-log-[H⁺] against the molarity of the acid and extrapolating to zero concentration The linear extrapolation to obtain the pK was given in a figure. The basicity of the N-methylnitroglyoxalines was studied. III was a little less basic than I. The protonation was followed in the same way II was much more basic than I and the equilibrium was studied in buffer solutions The extent to which the protonation of substituted glyoxalines followed the acidity function H₀ was of interest because glyoxalines were very different in structure from the aniline derivatives used in estimating the H₀ scale. Some values were given above for I and III. From such comparisons it seemed that the protonation of I followed H₀ in HClO₄, but deviated appreciably from H₀ in HCl. In both acids the protonation of III increased more rapidly with acidity than did I. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Application In Synthesis of 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. 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 1-Methyl-4-nitroimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

DNA vs. Mirror Image DNA: A Universal Approach to Tune the Absolute Configuration in DNA-Based Asymmetric Catalysis was written by Wang, Jocelyn;Benedetti, Erica;Bethge, Lucas;Vonhoff, Stefan;Klussmann, Sven;Vasseur, Jean-Jacques;Cossy, Janine;Smietana, Michael;Arseniyadis, Stellios. And the article was included in Angewandte Chemie, International Edition in 2013.Electric Literature of C6H8N2O This article mentions the following:

In the presence of DNA oligomers containing D-ribose or L-ribose sugar backbones such as 5′-dTCAGGGCCCTGATCAGGGCCCTGA-3′, and (4,4′-dimethyl-2,2′-bipyridine)copper(II) nitrate, alkenoylimidazoles I (R = Me, Ph, 2-BrC₆H₄, 4-MeOC₆H₄, 4-ClC₆H₄, 2-furanyl) underwent enantioselective Friedel-Crafts and addition reactions with N-methylindole, 5-methoxyindole, di-Me malonate, and nitromethane to give addition products such as imidazolyloxopropylmalonates II (R = Ph, 2-BrC₆H₄, 4-MeOC₆H₄, 4-ClC₆H₄, 2-furanyl) in 58-90% ee for Friedel-Crafts reactions and in 67-99% for Michael addition reactions. D-ribose or L-ribose sugar backbone-containing DNA oligomers gave enantiomeric products; the enantioselectivity depended on the DNA sequence, with reactions using the DNA sequence 5′-dCAGTCAGTACTGACTGCAGTCAGTACTGACTG-3′ giving lower enantioselectivities. In the experiment, the researchers used many compounds, for example, 1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1Electric Literature of C6H8N2O).

1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1) 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. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Electric Literature of C6H8N2O

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Determination of Missing Crystal Structures in the 1 Alkyl-3-methylimidazolium Hexafluorophosphate Series: Implications on Structure-Property Relationships was written by Endo, Takatsugu;Masu, Hyuma;Fujii, Kozo;Morita, Takeshi;Seki, Hiroko;Sen, Sabyasachi;Nishikawa, Keiko. And the article was included in Crystal Growth & Design in 2013.Electric Literature of C7H13ClN2 This article mentions the following:

The authors have performed single crystal X-ray diffraction analyses of two 1-alkyl-3-methylimidazolium hexafluorophosphate ([C_nmim]-PF₆) salts, [C₁mim]-PF₆, and [C₃mim]-PF₆. The thermodynamically metastable crystalline phase (尾 phase) of the former was obtained by crystallization from the melt in a capillary for the crystallog. anal. Both the cation and the anion in the 尾 phase of [C₁mim]-PF₆ show higher point group symmetry than those in the stable 伪 phase. This result is shown to be consistent with the fact that the m.p. of the 尾 polymorph (314 K) is significantly lower than that of the 伪 polymorph (364 K). The crystal structure of [C₃mim]-PF₆ seems to be typical of that characteristic of the crystals of imidazolium-based room temperature ionic liquids The cation conformation is the one in between those characteristic of the crystal structures of [C₂mim]-PF₆ and [C₄mim]-PF₆. When taken together, all crystallog. data for the [C_nmim]-PF₆ series (n = 1-4) demonstrate the influence of the alkyl chain length dependence on structural packing in these salts. The free volume fractions for these structures are calculated and compared to the lattice energy simply based on formula unit volume It is shown that the difference in the alkyl chain length of the imidazolium cations does not monotonically change with the lattice energy of the crystal structure, and the latter also depends on the packing efficiency of the constituent ions in the structure. 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. 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).Electric Literature of C7H13ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis of substituted 4-oxo-7-sulfamoyl-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepines was written by Kravchenko, D. V.;Ivanovskii, S. A.;Korsakov, M. K.;Dorogov, M. V.;Tkachenko, S. E.;AsHchenko, A. V.. And the article was included in Izvestiya Vysshikh Uchebnykh Zavedenii, Khimiya i Khimicheskaya Tekhnologiya in 2005.COA of Formula: C9H9N3 This article mentions the following:

A combinatorial library of substituted 4-oxo-7-sulfamoyl-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepines was synthesized via chlorosulfonylation of tetrahydrobenzothiazepinones followed by reaction with a range of primary and secondary amines. Physicochem. parameters of some of the products, such as lipophilicity, number of rotating bonds and number of hydrogen bond donors and acceptors have been calculated In the experiment, the researchers used many compounds, for example, 2,3-Dihydro-1H-benzo[d]imidazo[1,2-a]imidazole (cas: 24134-26-7COA of Formula: C9H9N3).

2,3-Dihydro-1H-benzo[d]imidazo[1,2-a]imidazole (cas: 24134-26-7) 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).COA of Formula: C9H9N3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Optimized one-step synthesis and characterization of 1-methyl-4,5-dinitro-1H-imidazole was written by Luo, Jin;Liu, Yu-Cun;Liu, Yan;Chai, Tao. And the article was included in Chemistry of Heterocyclic Compounds (New York, NY, United States) in 2017.Recommanded Product: 1-Methyl-4-nitroimidazole This article mentions the following:

Highly pure 1-methyl-4,5-dinitro-1H-imidazole was obtained from N-methylimidazole in 79% yield. The process was optimized with regard to nitrating mixture composition and the ratio of N-methylimidazole and nitrating mixture The effects of reaction temperature, time, and the rate of nitrating mixture addition were analyzed. The endothermic peak due to melting was obvious on the DSC curve at 75掳, decomposition started at about 250掳, and the main exothermic decomposition peak was at 278.5掳, which indicated that this compound has good thermal stability. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Recommanded Product: 1-Methyl-4-nitroimidazole).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) 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 derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Recommanded Product: 1-Methyl-4-nitroimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Solvent Water Content as a Factor in the Design of Metal Ion Extraction Systems Employing Ionic Liquids was written by Hawkins, Cory A.;Rigney, Madison L.;Rud, Anna;Dietz, Mark L.. And the article was included in Solvent Extraction and Ion Exchange in 2018.SDS of cas: 21252-69-7 This article mentions the following:

In the extraction of strontium nitrate from aqueous nitric acid solutions into a series of hydrophobic N-(1-hydroxyalkyl)-N’-alkylimidazolium bis[(trifluoromethyl)sulfonyl]imides by dicyclohexano-18-crown-6, a correlation has been demonstrated between the conditional extraction constant of strontium (K’_ex,Sr) and the concentration of water in the equilibrated ionic liquid (IL) phase. Despite the absence of a hydroxyl group on the IL cation, essentially the same relationship is observed for the analogous N,N’-dialkylimidazolium ILs. In both instances, the correlation is attributed to the coextn. of the hydrated nitrate ion and its solvation by the hydrated diluent. Transitions of water in the attenuated total reflectance-IR spectra of the ILs are consistent with the existence of multiple states of water. The extraction efficiency for a given water content is greater for the ILs examined than for conventional solvents (i.e., n-alcs.). When coupled with existing knowledge of the factors influencing cation partitioning into ILs, these results provide insight into the IL structural characteristics required to effect efficient metal ion extraction from acidic media. In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7SDS of cas: 21252-69-7).

1-Octyl-1H-imidazole (cas: 21252-69-7) 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. Imidazole has been usedin the lysis, wash and elution buffer for the purification of histidine tagged Sonic Hedgehog(shh-N) protein, in elution buffer in stepwise gradient for the purification of histidine tagged aldo keto reductases using nickel affinity chromatography, as a component of homogenization buffer for the purification of phagosomal compartments from dendritic cells.SDS of cas: 21252-69-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

A mixed matrix Eu-4,4′-biphenyldicarboxylate coordination polymer film as a fluorescence turn-off sensor to aniline vapor was written by Shen, Mei Lin;Wei, Zhen;Xu, Ling;Liu, Bing;Jiao, Huan. And the article was included in Journal of Solid State Chemistry in 2019.Application In Synthesis of 1-Methyl-3-propylimidazolium Chloride This article mentions the following:

The ionothermal reaction of EuCl₃ with 4,4′-biphenyldicarboxylic acid (H₂BPDC) produced a 3-dimensional fluorescence coordination polymer (CP), [PMI]₂[Eu₂(BPDC)₃Cl₂] (1). 1 Was dispersed onto the bandage, and further infiltrated by polyvinylidene fluoride (PVDF) to give a mixed matrix 1@PVDF/bandage composite film (1-film). The fluorescence and the morphol. indicate 1-film can emit red fluorescence and the CP particles are on the surfaces of bandage fabrics with the adhesion of PVDF. The fluorescence of 1-film can be quenched by different amines in the order of aliphatic amine > aromatic amine > alc. amine > amide, which concerns with the amine sizes. 1-film shows a fast response and selective sensing to aniline vapor, suggesting it may be a fluorescence turn-off sensor to aniline vapor. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Application In Synthesis of 1-Methyl-3-propylimidazolium Chloride).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) belongs to imidazole derivatives. Imidazole is the basic core of some natural products such as histidine, purine, histamine and DNA based structures, etc. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. 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).Application In Synthesis of 1-Methyl-3-propylimidazolium Chloride

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Layered organic-inorganic hybrid materials based on ionic liquid and lead chloride: Insights into the structure and properties was written by Balachandran, Nisha;Suseeladevi, Asha;Periya, Vijayalakshmi Kunduchi;Robert, Temina Mary;Soundiraraju, Bhuvaneswari;Cyriac, Jobin;Mathew, Dona. And the article was included in Journal of Molecular Liquids in 2020.Safety of 1-Methyl-1H-imidazol-3-ium chloride This article mentions the following:

Layered organic-inorganic hybrid materials are an emerging class of materials with excellent stability and outstanding optoelectronic properties. Here, we report the synthesis, characterization and optical properties of hybrid materials formed from lead chloride (PbCl₂)-methylimidazolium chloride (MimCl) and PbCl₂-alkyl methylimidazolium chlorides (AmimCl) of varying alkyl chain lengths viz. Et (C₂mimCl), Bu (C₄mimCl) and hexyl (C₆mimCl). The molar ratio of PbCl₂ to MimCl and AmimCl had a profound influence on the formation and properties of two-dimensional (2D) hybrid materials. The conformations and structural aspects of the synthesized materials with varying substitutions were extensively evaluated and correlated using computational studies. MimCl-PbCl₂, C₂mimCl-PbCl₂ and C₆mimCl-PbCl₂ forms 2D structures while C₄mimCl-PbCl₂ was forming 2D and 1D structures as evident from topog. and morphol. evaluations through at. force microscopy (AFM) and transmission electron microscopy (TEM). The materials synthesized were non-hygroscopic and exhibited excellent thermal stability. The AmimCl-PbCl₂ shows absorption in the UV region with the onset extends to the visible range and exhibits good photoluminescence at 532 nm. These hybrid materials showed a charge carrier lifetimes (10-40 ns) and a photoresponse (photocurrent of the order microamperes) which make them a potential candidate for optoelectronic devices. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Safety of 1-Methyl-1H-imidazol-3-ium chloride).

1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3) 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 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.Safety of 1-Methyl-1H-imidazol-3-ium chloride

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Disclosure of mystery of “fairy rings” by chemistry was written by Kawagishi, Hirokazu. And the article was included in Yuki Gosei Kagaku Kyokaishi in 2015.Reference of 26832-08-6 This article mentions the following:

A review on chems. responsible for “fairy rings” of turf grass, their formation through a new purine metabolic pathway, and chem. synthesis of ¹³C,¹⁵N-labeled metabolites. 2-Azahypoxanthine (AHK, I) (rice plant-growth promotor) and imidazole-4-carboxamide (ICA, II) (turf grass growth inhibitor) were isolated from a fairy-ring forming fungus Lepista sordida. AHK was converted into a metabolite, 2-aza-8-oxohypoxanthine (AOH, III) (turf grass growth-promoters), in plants. Afterward, it turned out that these three compounds, fairy chems. (FSc), endogenously exist in plants and are biosynthesized via a new purine metabolic pathway. Furthermore, FCs increased the yields of rice, wheat and other crops in the field experiments In the experiment, the researchers used many compounds, for example, 1H-Imidazole-4-carboxamide (cas: 26832-08-6Reference of 26832-08-6).

1H-Imidazole-4-carboxamide (cas: 26832-08-6) 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 derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Reference of 26832-08-6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Mechanism of methylation of 4(or 5)-nitroglyoxaline by methyl sulfate was written by Grimison, A.;Ridd, J. H.. And the article was included in Chemistry & Industry (London, United Kingdom) in 1956.Name: 1-Methyl-4-nitroimidazole This article mentions the following:

A kinetic study was undertaken under homogeneous conditions. The acidity of 4(or 5)-nitroglyoxaline (I) in water was determined from UV spectra, pK 9.22 in aqueous 10% EtOH containing 0.3-0.9N NaOH. The rate was k₂(Me₂SO₄) (G^–), where G^– is the conjugate base of I. The rate of concurrent hydrolysis of Me₂SO₄ (II) was k’₁(Me₂SO₄) + k’₂(Me₂SO₄) (OH^–). At 25掳, k₂ = 1.9 脳 10^-2; k’₂ = 1.6 脳 10^-2; k’₁ = 1.7 脳 10^-1, all in moles 1.^-1 sec.^-1 Kinetic results point to nucleophilic attack by G^– on II, the product being the 1,4-isomer, in contrast to the 1,5-isomer obtained in acidic media, which also causes a different reaction mechanism. 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. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Name: 1-Methyl-4-nitroimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem