Tag: 100-200

Synthesis, proton NMR and electronic absorption spectra, and halochromic properties of bis(2-methyl-1-phenyl-3-isoindolyl)(het)arylmethane dyes was written by Naef, R.. And the article was included in Dyes and Pigments in 1985.SDS of cas: 3012-80-4 This article mentions the following:

Several bis(2-methyl-1-phenyl-3-isoindolyl)(het)arylmethane perchlorate dye salts were synthesized, the (het)aryl substituent representing the acceptor systems 2-benzothiazolyl, 1-methyl-2-benzimidazolyl, 4-quinolyl, 4- and 2-pyridyl as well as Ph. The constitution of these green dye salts was supported by their 1H-NMR spectra. The variation of the electronic absorption maximum of this dye series was in accord with theor. considerations based on SCF-CI and PMO calculations They give rise to the statement that the bathochromic effect of the varied (het)aryl group is essentially due to a LUMO-LUMO interaction with the diisoindolylmethane cyanine moiety, i.e., a second-order perturbation, enlarging the bathochromic shift caused by the increased twist angles inflicted on the central bonds by the bulkiness of the (het)aryl substituents (a first-order perturbation). The halochromic properties of these dyes are explicable on the same basis. The dissociation constants pK* and pKR+* were measured and compared with analogous diindolyl- and diindolizinylhetarylmethane dyes, showing little difference with regard to the former and the distinct sequence indolizinyl > indolyl > isoindolyl dye series for the latter. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4SDS of cas: 3012-80-4).

1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.SDS of cas: 3012-80-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

One atom linch pin transformations of Gold’s reagent was written by Gupton, John T.;Correia, Keith F.;Foster, Bruce S.. And the article was included in Synthetic Communications in 1986.Computed Properties of C8H8N2 This article mentions the following:

A series of o-phenylenediamines I (Z = NH, R = H, R¹ = 4-Me; R = R¹ = H; 4-, 5-Me) and o-aminophenols I (Z = O, R = R¹ = H; R = H, R¹ = 4-, 5-Me) reacted with Gold’s reagent to yield benzimidazoles II (Z = NH) and benzoxazoles II (Z = O) resp. Addnl., o-hydroxyacetophenone and anthranilamide, when reacted with Gold’s reagent, gave chromone and 3H-quinazoline-4-one, resp. These transformations represent the use of Gold’s reagent as a one atom linchpin. In the experiment, the researchers used many compounds, for example, 7-Methyl-1H-benzo[d]imidazole (cas: 4887-83-6Computed Properties of C8H8N2).

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 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.Computed Properties of C8H8N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Reactions of nitroheteroarenes with carbanions: bridging aromatic, heteroaromatic, and vinylic electrophilicity was written by Seeliger, Florian;Blazej, Sylwia;Bernhardt, Sebastian;Makosza, Mieczyslaw;Mayr, Herbert. And the article was included in Chemistry – A European Journal in 2008.Formula: C4H5N3O2 This article mentions the following:

The relative rate constants for the vicarious nucleophilic substitution (VNS) of the anion of chloromethyl Ph sulfone (1^–) with a variety of nitroheteroarenes, for example, nitropyridines, nitropyrroles, nitroimidazoles, 2-nitrothiophene, and 4-nitropyrazole, were determined by competition experiments Nitropyridines are approx. four orders of magnitude more reactive than nitrobenzene. Among the five-membered heterocycles 2-nitrothiophene is the most active followed by nitroimidazoles and 4-nitropyrazole. Nitropyrroles are the least electrophilic nitroheteroarenes with reactivities comparable to nitrobenzene. Quantum chem. calculated Me anion affinities (B3LYP/6-311G(d,p)//B3LYP/6-31G(d)) of the nitroarenes correlated only moderately with the partial relative rate constants The correlation of these activities with the LUMO energies of nitroarenes is even worse. By measuring the second-order rate constants of the addition of 1^– to nitroarenes and to di-Et arylidenemalonates it was possible to link the electrophilic reactivities of nitroheteroarenes with the comprehensive electrophilicity scale based on the linear-free-energy-relation log k(20° C) = s(N + E). 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. 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. 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. Formula: C4H5N3O2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Toward Lead-Oriented Synthesis: One-Pot Version of Castagnoli Condensation with Nonactivated Alicyclic Anhydrides was written by Ryabukhin, Sergey V.;Panov, Dmitriy M.;Granat, Dmitry S.;Ostapchuk, Eugeniy N.;Kryvoruchko, Dmitriy V.;Grygorenko, Oleksandr O.. And the article was included in ACS Combinatorial Science in 2014.Name: 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde This article mentions the following:

One-pot variation of Castagnoli condensation, i.e., reaction of cyclic anhydrides, amines, and aldehydes, has been developed as a combinatorial approach to 1,2-disubstituted 5-oxopyrrolidine- and 6-oxopiperidine-3-carboxylic acids (e.g., I and II), as well as their benzo-analogs. Utility of the method to multigram preparation of building blocks and synthetic intermediates was also demonstrated. The final products are obtained in high yields and diastereoselectivity. The method fits well in the concept of lead-oriented synthesis; in particular, it can be used for the design of lead-like compound libraries, even if the strictest cut-offs are applied to the physicochem. properties of their members. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4Name: 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde).

1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4) 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. Name: 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Characterization of substituted nitroimidazoles on paper and thin-layer chromatography by colorimetric reactions was written by Stambaugh, J. E.;Manthei, Roland W.. And the article was included in Journal of Chromatography in 1967.Application In Synthesis of 1-Methyl-4-nitroimidazole This article mentions the following:

The characterization of substituted nitroimidazoles (I) by colorimetric reaction after paper and thin-layer chromatog. is studied. The colorimetric reactions depend upon reduction of I to the corresponding aminoimidazoles, followed by coupling with either diazotized sulfanilic acid (II), p-(dimethylamino)benzaldehyde (III), or ninhydrin (IV). The paper chromatograms can be developed in BuOH saturated with H2O, 70:30 PrOH-NH3, or in 120:30:50 BuOH-HOAc-H2O. The developed chromatograms are sprayed with 1.5% TiCl2 in 10% HOAc, to reduce the NO2 group, before spraying with a chromogenic reagent. Avicel thin-layer plates can be developed in BuOH saturated with H2O, 160:8:32 iso-PrOH-NH3-H2O, or 154:20:26 BuOH-HCO2H-H2O. The plates are then sprayed similarly to the paper chromatograms. The Rf values and colors obtained with I (Ehrlich’s reagent), III (Pauly’s reagent), and IV are tabulated for imidazole, 4(5)-nitroimidazole, and 12 I. A comparison of the reaction rate and sequence of color development of known I with the chromogenic reagents permit a tentative identification of substituents on a nitroimidazole ring, especially the 2-Me group. Mechanisms are proposed for the reaction of the reduced I with the 3 chromogenic reagents. 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 is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. 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.Application In Synthesis of 1-Methyl-4-nitroimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Nsc-mediated solid-phase synthesis of polyamides containing pyrrole amino acid was written by Choi, Jin Seok;Lee, Hwa-Sun;Lee, Younjoo;Jeong, Nakcheol;Kim, Hack-Joo;Kim, Young-Deug;Han, Hogyu. And the article was included in Tetrahedron Letters in 2002.Quality Control of Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate This article mentions the following:

The synthesis of the Nsc-protected amino acid, Nsc-Py-OH (I) [Nsc = 2-(4-nitrophenylsulfonyl)ethoxycarbonyl] and its oligomerization on solid-phase are described. The suitability of the Nsc methodol. for preparation of polyamides containing heteroaromatic amino acids was demonstrated. In the experiment, the researchers used many compounds, for example, Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate (cas: 109012-23-9Quality Control of Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate).

Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate (cas: 109012-23-9) 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. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Quality Control of Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis of 2-alkyl-substituted benzimidazoles by thermal decomposition of 2-azidobenzenamines in the presence of an aldehyde was written by Wallace, Jeffery M.;Soderberg, Bjorn C. G.;Hubbard, Jeremiah W.. And the article was included in Synthetic Communications in 2006.SDS of cas: 4887-83-6 This article mentions the following:

2-Substituted benzimidazoles, e.g., I, were prepared by reaction of 2-azidoaminobenzenes, e.g., II, with with aldehydes under thermal conditions. The reaction probably proceeds via a sequential imine formation, azide decomposition forming a nitrene, and electrocyclization. In the experiment, the researchers used many compounds, for example, 7-Methyl-1H-benzo[d]imidazole (cas: 4887-83-6SDS of cas: 4887-83-6).

7-Methyl-1H-benzo[d]imidazole (cas: 4887-83-6) 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. 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. SDS of cas: 4887-83-6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Properties and catalytic activity of magnetic and acidic ionic liquids: Experimental and molecular simulation was written by Zhou, Cunshan;Yu, Xiaojie;Ma, Haile;Huang, Xingyi;Zhang, Henan;Jin, Jian. And the article was included in Carbohydrate Polymers in 2014.Safety of 1-Methyl-3-propylimidazolium Chloride This article mentions the following:

The exploitation of dual functional magnetic and acidic ionic liquids (MAILs) for hydrolysis of cellulose to platform chems. can solve some practical challenges through easy separation of products and efficient catalyst recyclability. In this work, seven C_nmim/FeCl₄ MAILs were synthesized and investigated with combined exptl. and mol. dynamics. The MAILs contained FeCl^–₄ anions and exhibited a typical hard magnetic materials behavior with rather strong magnetic susceptibilities. These MAILs were stable up to 250-310 °C, the decomposition was started up at 250/310-480-810 °C in two steps with the formation of the undecomposed residue. The Gibbs energy for the reaction of glucose/xylose conversion to 5-hydroxymethylfurfural by metal chlorides in the C_nmimCl ionic liquid was studied using the d. functional theory calculations and the results that C₃mim/WCl₃ may be the most hopeful catalyst. The MAILs have the potential to open up promising new catalytic systems because of their easy product separation and efficient catalyst recyclability. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Safety of 1-Methyl-3-propylimidazolium Chloride).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) 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 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-3-propylimidazolium Chloride

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Transition-metal and oxidant-free approach for the synthesis of diverse N-heterocycles by TMSCl activation of isocyanides was written by Luo, Liangliang;Li, Hongyan;Liu, Jinxin;Zhou, Yuan;Dong, Lin;Xiao, You-Cai;Chen, Fen-Er. And the article was included in RSC Advances in 2020.Formula: C8H8N2 This article mentions the following:

A highly efficient TMSCl-mediated addition of N-nucleophiles to isocyanides was achieved. This transition-metal and oxidant-free strategy was applied to the construction of various N-heterocyles such as quinazolinone, benzimidazole and benzothiazole derivatives by the use of distinct amino-based binucleophiles. The notable feature of this protocol includes its mild reaction condition, broad functional group tolerance and excellent yield. In the experiment, the researchers used many compounds, for example, 7-Methyl-1H-benzo[d]imidazole (cas: 4887-83-6Formula: C8H8N2).

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 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).Formula: C8H8N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Carbohydrates-tailored phase tunable systems composed of ionic liquids and water. [Erratum to document cited in CA153:297068] was written by Chen, Yuhuan;Wang, Yige;Cheng, Qingyan;Liu, Xiaoli;Zhang, Suojiang. And the article was included in Journal of Chemical Thermodynamics in 2010.Reference of 79917-89-8 This article mentions the following:

On page 1056, the first Author’s name should read: Yuhuan Chen. The correct version of the Author line has been corrected On page , in Figure 5, D of phenol in {[C3mim]BF4 + glucose + H2O} system is 2.51, not 13.04. The correct version of Figure 5 is given. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Reference of 79917-89-8).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) 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 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.Reference of 79917-89-8

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem