Tag: 100-200

Nitrogen dioxide-catalyzed oxidative bromination of benzenes and naphthalines with electron-donating substituents at room temperature was written by Ren, Yun-lai;Wang, Qian;Tian, Xin-zhe;Wang, Bin-yu;Wang, Pei. And the article was included in Fenzi Cuihua in 2014.Product Details of 25676-75-9 This article mentions the following:

Oxidative bromination of benzenes and naphthalines with electron-donating substituents was investigated by using 8.2% nitrogen dioxide as the catalyst, the residual oxygen in the reaction tube as the oxidant, and mol. bromine as the brominating reagent at room temperature The used heavy metal waste-free catalyst can be easily removed from the products and scarcely stains the final products. But a small amount of byproduct from the nitration of the benzene ring was observed, which led to the consumption of nitrogen dioxide. The reaction is highly atom economic, and a majority of bromine atoms in bromine source were transferred to the bromination products. The bromination was controllable: mono- and di-bromination products were controllably obtained by changing the loading amount of the brominating reagent. Preliminary mechanistic investigation suggests that the bromination firstly undergoes the reaction between mol. bromine and aromatic ring to give aryl bromide and HBr, which is followed by oxygenation of the resulting bromine hydride to form the reactive bromine under the catalysis of the catalytic species. In the experiment, the researchers used many compounds, for example, 4-Bromo-1-methylimidazole (cas: 25676-75-9Product Details of 25676-75-9).

4-Bromo-1-methylimidazole (cas: 25676-75-9) 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 derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Product Details of 25676-75-9

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Energies of isomerization in nitro derivatives of diazole was written by Lebedev, Vyacheslav P.;Matyushin, Yuriy N.;Miroshnichenko, Evgeniy A.;Konkova, Tatyana S.;Vorobev, Aleksei B.;Inozemtsev, Yaroslav O.. And the article was included in International Annual Conference of ICT in 2008.Formula: C4H5N3O2 This article mentions the following:

Energy of combustion of nitro derivatives of pyrazole and imidazole are measured. The energy of isomerization is estimated as the difference between enthalpies of formation of corresponding isomers. The influence of number, place of connection and chem. nature of substituents on energy of isomerization is considered. The obtained exptl. magnitudes will essentially fill up a database on enthalpies of formation and energies of isomerization of heterocyclic aromatic five-membered rings. These data are necessary for the further development of calculated methods that will allow purposeful search of structures with the set energetic properties. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Formula: C4H5N3O2).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) 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鈥揅6) is higher than in water and generally decreases with a 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: C4H5N3O2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Amino acids. I. Preparation and properties of glycocyamidine was written by McKay, A. F.;Braun, R. O.;Hatton, W. G.. And the article was included in Canadian Journal of Chemistry in 1954.COA of Formula: C6H8N2O2S This article mentions the following:

Free guanidine with Et glycinate gave 29% glycocyamidine (I). Heating guanidine carbonate with glycine produced no I, but 55% guanidinoacetic acid (II). This was esterified with EtOH by azeotropic removal of H₂O by C₆H₆ from an alc. HCl solution to produce Et guanidinoacetate-HCl (III); picrate, m. 189.5-90.5掳. Aqueous III treated with Amberlite IRA-400 and the resulting solution evaporated gave a mixture of I (identified as its picrate, m. 214.5-15.5掳) and II. I was nitrated in Ac₂O-HNO₃ to glycocyamidine nitrate, m. 145掳 (from EtOH). I and II may be separated and identified by paper chromatog. with BuOH-H₂O-HOAc (4.2:4.2:1) as eluent. In the experiment, the researchers used many compounds, for example, Ethyl 2-mercapto-1H-imidazole-4-carboxylate (cas: 64038-64-8COA of Formula: C6H8N2O2S).

Ethyl 2-mercapto-1H-imidazole-4-carboxylate (cas: 64038-64-8) 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 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: C6H8N2O2S

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Manganese-zeolitic imidazolate frameworks-90 with high blood circulation stability for MRI-guided tumor therapy was written by Jiang, Zhenqi;Yuan, Bo;Qiu, Nianxiang;Wang, Yinjie;Sun, Li;Wei, Zhenni;Li, Yanyin;Zheng, Jianjun;Jin, Yinhua;Li, Yong;Du, Shiyu;Li, Juan;Wu, Aiguo. And the article was included in Nano-Micro Letters in 2019.Recommanded Product: 1H-Imidazole-4-carboxamide This article mentions the following:

Zeolitic imidazolate frameworks (ZIFs) as smart drug delivery systems with microenvironment-triggered release have attracted much attention for tumor therapy. However, the exploration of ZIFs in biomedicine still encounters many issues, such as inconvenient surface modification, fast drug release during blood circulation, undesired damage to major organs, and severe in vivo toxicity. To address the above issues, we developed an Mn-ZIF-90 nanosystem functionalized with an originally designed active-targeting and pH-responsive magnetic resonance imaging (MRI) Y₁ receptor ligand [Asn²⁸, Pro³⁰, Trp³²]-NPY (25-36) for imaging-guided tumor therapy. After Y₁ receptor ligand modification, the Mn-ZIF-90 nanosystem exhibited high drug loading, better blood circulation stability, and dual breast cancer cell membrane and mitochondria targetability, further favoring specific microenvironment-triggered tumor therapy. Meanwhile, this nanosystem showed promising T1-weighted magnetic resonance imaging contrast in vivo in the tumor sites. Especially, this nanosystem with fast clean-up had almost no obvious toxicity and no damage occurred to the major organs in mice. Therefore, this nanosystem shows potential for use in imaging-guided tumor therapy. In the experiment, the researchers used many compounds, for example, 1H-Imidazole-4-carboxamide (cas: 26832-08-6Recommanded Product: 1H-Imidazole-4-carboxamide).

1H-Imidazole-4-carboxamide (cas: 26832-08-6) 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鈥揅6) is higher than in water and generally decreases with a 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: 1H-Imidazole-4-carboxamide

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Oxazolidine Formation, or Loss of Acid, from Attempted Fluorination of Amide Side-Chain in 2-Nitroimidazoles was written by Baird, Ian R.;Patrick, Brian O.;Skov, Kirsten A.;James, Brian R.. And the article was included in Journal of Heterocyclic Chemistry in 2018.Formula: C5H5N3O4 This article mentions the following:

Reaction of Etanidazole (a 2-nitroimidazole derivative with an amide side-chain containing a hydroxyethyl group) with triflic anhydride gives, depending on conditions, a trifluoromethyl(sulfonyl)oxazolidine via a cyclization reaction, or a fluorine-free formate derivative; reaction with tosyl chloride gives only a chloroethyl derivative An attempt to replace a Br-atom in a related propyl-containing amide side-chain by a F-atom forms instead a propylene derivative via loss of HBr. The studies stem from interest in use of 2-nitroimidazoles with fluorine-containing amide side-chains as hypoxia markers. In the experiment, the researchers used many compounds, for example, 2-(2-Nitro-1H-imidazol-1-yl)acetic acid (cas: 22813-32-7Formula: C5H5N3O4).

2-(2-Nitro-1H-imidazol-1-yl)acetic acid (cas: 22813-32-7) 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 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: C5H5N3O4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

DFT study on the effect of exocyclic substituents on the proton affinity of 1-methylimidazole was written by Liu, Haining;Bara, Jason E.;Turner, C. Heath. And the article was included in Chemical Physics in 2013.SDS of cas: 3034-41-1 This article mentions the following:

A deeper understanding of the acid/base properties of imidazole derivatives will aid the development of solvents, polymer membranes and other materials that can be used for CO₂ capture and acid gas removal. The authors employ d. functional theory calculations to study the effect of various electron-donating and electron-withdrawing groups on the proton affinity of 1-methylimidazole. Electron-donating groups are able to increase the proton affinity relative to 1-methylimidazole, i.e., making the mol. more basic. But electron-withdrawing groups cause a decrease of the proton affinity. When multiple substituents are present, their effects on the proton affinity are additive. This finding offers a quick approach for predicting and targeting the proton affinities of this series of mols., and the authors show the strong correlation between the calculated proton affinities and exptl. pK_a values. 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. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. 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

Printable biflourene based ultra-violet (UV) organic light-emitting electrochemical cells (OLECs) with improved device performance was written by Arumugam, Sasikumar;Li, Yi;Pearce, James E.;Court, Katie L.;Piana, Giacomo;Jackman, Edward H.;Ward, Oliver J.;Charlton, Martin D. B.;Tudor, John;Harrowven, David C.;Beeby, Steve P.. And the article was included in Organic Electronics in 2022.Electric Literature of C11H20N2 This article mentions the following:

A series of printable UV emitting ionic bifluorene derivatives have been prepared incorporating pendent alkylimidazolium groups. Herein, we detail the synthesis of compounds and the methods used in device fabrication. We show how ink formulation is improved by increasing the solubility of the active bifluorene through extension of the alkyl chain length and switching the counter ion from PF^–₆ to CF₃SO^–₃. We also show how organic light emitting electrochem. cells (OLECs) can be fabricated by spray coating to achieve an active layer with a thickness of 鈭?50-200 nm, leading to working devices with a turn on voltage of around 6.5 V. This gives electroluminescent (EL) that peaks between 385 nm and 390 nm with a maximum EL emission intensity of 1.29 渭W/cm². Thus, EL emission within the UV range has been demonstrated successfully with the synthesized mols. via spray coating onto glass slides. In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7Electric Literature of C11H20N2).

1-Octyl-1H-imidazole (cas: 21252-69-7) 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鈥揅6) 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. Electric Literature of C11H20N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

N-Heterocyclic carbenes – catalysts for the preparation of polyhedral silsesquioxanes was written by Kozelj, Matjaz;Orel, Boris. And the article was included in Dalton Transactions in 2013.Synthetic Route of C7H13ClN2 This article mentions the following:

N-Heterocyclic carbenes could be used as powerful catalysts for the preparation of various polyhedral silsesquioxanes. NHCs also catalyze a rearrangement of existing cages and a scrambling between two different cages at a concentration as low as 1 mol%. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Synthetic Route of C7H13ClN2).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) 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 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.Synthetic Route of C7H13ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis, In silico and in vitro studies of Silver(I)-N-heterocyclic carbene complexes was written by Sarfraz, Ayesha;Ashraf, Rizwan;Ali, Shaukat;Taskin-Tok, Tugba;Khalid, Zohra;Ullah, Sana;Kahlid, Talha;Mushtaq, Muhammad;El-Bahy, Salah M.;El-Bahy, Zeinhom M.. And the article was included in Journal of Molecular Structure in 2022.SDS of cas: 21252-69-7 This article mentions the following:

In the present study, four silver based NHC (N-heterocyclic carbene) complexes (1c–4c) were designed and synthesized from their precursor salts (1b–4b). The successful synthesis of salts and complexes was assured through spectroscopic techniques (UV-visible, FTIR, ¹H NMR) as well as mass spectrometry. The in silico ADMET study and mol. docking calculations predicted the compounds are good drug candidates having therapeutic potential against multiple cancer targets including COX-1, VEGFA, HIF as well as VGF. Results of in vitro study conducted through MTT assay confirmed that all test compounds have concentration dependent potency but silver complexes (1c–4c) have far superior activity than precursor, salts (1b–4b) and slightly lower than standard drugs (carboplatin and cisplatin) against various cancer cell lines. Among the studied compounds, 3c showed lowest IC₅₀ value of 0.981 卤 0.09, 1.10 卤 0.14 and 0.973 卤 0.12渭g/mL against MCF-7, HCT-116 and A549 resp. The test compounds were found good antibacterial agents, when screened against bacterial strains (Staphylococcus aureus, Micrococcus luteus, Escherichia coli and S. typhimurium), as well as antioxidant agents when tested against DPPH free radicals. 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 also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.SDS of cas: 21252-69-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Insight into the role of ion-pairing in the adsorption of imidazolium derivative-based ionic liquids by activated carbon was written by Liu, Mengping;Zhu, Ling;Zhang, Xiaoxian;Han, Wenhui;Qiu, Yuping. And the article was included in Science of the Total Environment in 2020.Product Details of 79917-89-8 This article mentions the following:

The association of the cation and anion of ionic liquids (ILs) dominates the absorbability of ILs by activated carbon (AC). Nevertheless, the mechanism behind the role of ion-pairs is largely unknown. In this study, the adsorption of a series of imidazolium derivative-based ILs by AC was involved in response to the octanol-water partition coefficient (K_OW), hydrogen bonding acidity (伪), ion-pair binding constants (K_IP), binding energy of ion-pairs (E_binding) and d. functional theory (DFT) calculation of ILs. A significant pos. correlation between lg K_OW and K_d and between K_IP and lg K_OW was observed (p < 0.05). However, both E_binding and 伪 was inversely proportional to K_IP. Hence, the substitution of oxygen-containing functional groups, such as carboxyethyl, 1-methoxyethyl, and 1-(ethoxycarbonyl)methyl, on imidazolium ring enhanced the hydrogen bond interaction with water mols. and then weakened the binding of imidazolium cation and [NTf₂]^–, thereby reducing the adsorption of ILs to AC. DFT calculation further revealed that the polar substitution improved the electron d. and electronegativity of imidazolium skeleton. By contrast, the ILs functionalized with non-polar groups (e.g., Bu, allyl, and benzyl) generally displayed high K_IP values and low 伪 values. Consequently, the formation of hydrogen bond between the oxygen-containing functional groups of IL cation and water would facilitate the dissociation of IL ion-pairs and then decrease the adsorption of ILs on AC. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Product Details of 79917-89-8).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) 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鈥揅6) is higher than in water and generally decreases with a 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.Product Details of 79917-89-8

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem