Tag: 100-200

Tuning of the dienophilic reactivity of imidazo[1,2-a]pyridine: a comparison of DFT and dispersion-corrected DFT calculations was written by Maheshwari, Pooja;Gupta, Raakhi;von Hopffgarten, Moritz;Bansal, Raj K.. And the article was included in Bulletin of the Chemical Society of Japan in 2013.COA of Formula: C7H5N3O2 This article mentions the following:

A comparative study of the DFT calculations with and without dispersion correction for the determination of the relative activation energy barriers and reaction energies of the normal electron demand Diels-Alder (NED DA) reactions of imidazo[1,2-a]pyridine and its derivatives with 1,3-butadiene at the B3LYP/6-31+G** level reveals that on inclusion of the dispersion correction, the relative activation energy barriers are lowered by ca. 10-13 kcal mol^-1 whereas relative reaction energies are increased by ca. 9-13 kcal mol^-1 as compared to the DFT calculations without dispersion correction. Similar results are obtained for the reverse electron demand (RED) DA reactions of imidazo[1,2-a]pyridine and its derivatives with tetrachloro-o-benzoquinone. The relative free energies of solvation of different species determined from SCRF calculations allow to detect solvent-induced geometry relaxation of the reactant mols. and the transition states which rationalizes lowering of the relative activation energies in methylene chloride. The reactions are found to occur without the involvement of the reactants complexes. In the experiment, the researchers used many compounds, for example, 6-Nitroimidazo[1,2-a]pyridine (cas: 25045-82-3COA of Formula: C7H5N3O2).

6-Nitroimidazo[1,2-a]pyridine (cas: 25045-82-3) 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 Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.COA of Formula: C7H5N3O2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Palladium-Catalyzed Dehydrogenative C-2 Alkenylation of 5-Arylimidazoles and Related Azoles with Styrenes was written by Lessi, Marco;Nania, Attilio;Pittari, Melania;Lodone, Laura;Cuzzola, Angela;Bellina, Fabio. And the article was included in Catalysts in 2021.Electric Literature of C8H8N2 This article mentions the following:

A simple protocol for the Pd(II)/Cu(II)-promoted intermol. cross-dehydrogenative coupling (CDC) of 5-arylimidazoles, benzimidazoles, benzoxazole and 4,5-diphenylimidazole at their C-2 position with functionalized styrenes. This specific CDC, known as the Fujiwara-Moritani reaction or oxidative Heck coupling, also allowed the C-4 alkenylation of the imidazole nucleus when both 2 and 5 positions were occupied. In the experiment, the researchers used many compounds, for example, 1-Methylbenzimidazole (cas: 1632-83-3Electric Literature of C8H8N2).

1-Methylbenzimidazole (cas: 1632-83-3) 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 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.Electric Literature of C8H8N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Solubility of H₂S and CO₂ in imidazolium-based ionic liquids with bis(2-ethylhexyl) sulfosuccinate anion was written by Akhmetshina, Alsu I.;Petukhov, Anton N.;Gumerova, Olesya R.;Vorotyntsev, Andrey V.;Nyuchev, Alexander V.;Vorotyntsev, Ilya V.. And the article was included in Journal of Chemical Thermodynamics in 2019.Electric Literature of C4H7ClN2 This article mentions the following:

Herein, we studied the absorption of H₂S and CO₂ in 1-methylimidazolium bis(2-ethylhexyl) sulfosuccinate ([mim][doc]) and 1-buthyl-3-methylimidazolium bis(2-ethylhexyl) sulfosuccinate ([bmim][doc]) at various temperatures and partial gas pressures. The choice of the [doc] anion was determined by the ability of bulky moieties along with the polar functional groups to enhance the solubility of acidic gases, as confirmed during the volumetric measurements of gases solubility It was shown that the protic cation presence determines a significant reduction of the CO₂ and H₂S solubilities as well as the thermal stability of ILs. There were found that [bmim][doc] tends to have higher absorption capacity toward acidic gases compared with [mim][doc]. The solubility of hydrogen sulfide, characterized by the Henry’s Law constant, in [bmim][doc] and [mim][doc] turned out nearly 4-5 and 1.5-2 times higher than in conventional ionic liquids resp. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Electric Literature of C4H7ClN2).

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 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 C4H7ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ionic liquids for the control of the morphology in poly(vinylidene fluoride-co-hexafluoropropylene) membranes was written by Saiz, Paula G.;Lopes, Ana Catarina;Eizagirre Barker, Simone;Fernandez de Luis, Roberto;Arriortua, Maria Isabel. And the article was included in Materials & Design in 2018.Reference of 35487-17-3 This article mentions the following:

The development of polymer membranes with tailored micro-morphol. and wettability is a demand in the areas of filtration, sensors, and tissue engineering, among others. The thermoplastic copolymer poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP), is one of the most widely used polymers for these applications due to its good mech. and thermal properties, biocompatibility and low d. Although the control of the PVDF-HFP morphol. is a complicated task, the introduction of ionic liquids (ILs) in the PVDF-HFP matrix opens new perspectives in this area. This work consists of a systematic study of three different protic ionic liquids ([dema][TfO], [MIm][NTf₂] and [MIm][Cl]) in the control of PVDF-HFP membranes properties. Different preparation conditions are also analyzed. These results demonstrate how several parameters such as morphol., water absorption capacity and mech. properties vary depending on the production methodol. employed and on the choice of incorporated IL. Pores of different sizes, spherulites and compact structures have been obtained, as well as hydrophilic and highly hydrophobic structures. These results show that ILs play a key role in the optimization of polymer properties and given the large number of available ILs, open up new possibilities for the development of polymer membranes suitable for applications where specific morphologies are desirable. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Reference of 35487-17-3).

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

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Supramolecular complexes formed by dimethoxypillar[5]arenes and imidazolium salts: a joint experimental and computational investigation was written by D’Anna, Francesca;Rizzo, Carla;Vitale, Paola;Marullo, Salvatore;Ferrante, Francesco. And the article was included in New Journal of Chemistry in 2017.Recommanded Product: 1-Octyl-1H-imidazole This article mentions the following:

To gain more insights into the factors acting on the stability of complexes formed by pillar[5]arenes, we investigated the interaction of dimethoxypillar[5]arene with some 1-(n-alkyl)-3-(9-anthracenylmethyl)-imidazolium based organic salts. In particular, we used salts differing in not only the anion nature ([Cl^–], [BF₄^–], [NTf₂^–] and [SbF₆^–]) and alkyl chain length (Bu, octyl and dodecylimidazolium derivatives), but also the presence of a hydrogenated or fluorinated tail (octyl and perfluorooctylimidazolium derivatives). Host-guest systems were analyzed in solution, solid state and gas phase, using a combined approach of different techniques like fluorescence, ¹H NMR, ESI-MS, DSC and DFT calculations Data collected show that the complex stability is heavily affected by solvent nature. Furthermore, solvent being the same, it increases with the decrease of the alkyl chain length and the anion coordination ability. The joint information obtained from ¹H NMR and DFT calculations allows drawing a picture of the complex geometry. On the other hand, fluorescence investigation on the solid state evidences the occurrence of an aggregation enhanced emission process for these systems. In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7Recommanded Product: 1-Octyl-1H-imidazole).

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. 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.Recommanded Product: 1-Octyl-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis, characterization and thermal properties of thiosalicylate ionic liquids was written by Wilfred, Cecilia Devi;Mustafa, Fadwa Babiker. And the article was included in Journal of Chemical Sciences (Bangalore, India) in 2013.Electric Literature of C7H13ClN2 This article mentions the following:

In an attempt to produce new functionalized ionic liquids, a series of thiosalicylate ionic liquids based on imidazolium, ammonium, phosphonium, choline and pyrrolidinium cations were synthesized. The compounds were characterized by Infra Red (IR), NMR (NMR) and mass spectra (ESI-MS). Their glass-transition temperatures, m.ps. and decomposition temperatures have been measured. Physicochem. properties of ionic liquids are influenced by alkyl chain length and nature of the cation of ionic liquids 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. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Electric Literature of C7H13ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Silver(I) N-heterocyclic carbene complexes: Synthesis, characterization and cytotoxic properties was written by Gurbuz, Nevin;Kaloglu, Nazan;Kizrak, Umran;Ozdemir, Ilknur;Turkmen, Nese Basak;Ciftci, Osman;Ozdemir, Ismail;Mansour, L.;Naceur, Hamdi. And the article was included in Journal of Organometallic Chemistry in 2020.Quality Control of 1-Methylbenzimidazole This article mentions the following:

Sulfonate functionalized N-heterocyclic carbene ligand precursors were obtained from the compounds 1-alkylbenzimidazole, 1,3-propane sultone, and 1,4-butane sultone. These NHC ligand precursors were metalated with Ag₂O on moderate conditions to give novel Ag-NHC complexes. All new compounds were characterized by ¹H NMR, ¹³C NMR, FTIR and elemental anal. techniques. The cytotoxic properties of the Ag(I) complexes were assessed in various human cancer lines, including cisplatin-sensitive and resistant cells. IC₅₀ values of these four complexes were determined by the MTT based assay on three human cell lines brain (SHSY5Y) and liver (HEP3B). These Ag N-heterocyclic carbene complexes were highlighted metal-based cancer therapeutic agents with unique structures and functions. These strategies provide exciting opportunities for discovering new types of metallodrugs. In the experiment, the researchers used many compounds, for example, 1-Methylbenzimidazole (cas: 1632-83-3Quality Control of 1-Methylbenzimidazole).

1-Methylbenzimidazole (cas: 1632-83-3) 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 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.Quality Control of 1-Methylbenzimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Radical C-H functionalization of heteroarenes under electrochemical control was written by O’Brien, Alexander G.;Maruyama, Akinobu;Inokuma, Yasuhide;Fujita, Makoto;Baran, Phil S.;Blackmond, Donna G.. And the article was included in Angewandte Chemie, International Edition in 2014.HPLC of Formula: 25676-75-9 This article mentions the following:

Electrochem. reactions are shown to be effective for the C-H functionalization of a number of heterocyclic substrates that are recalcitrant to conventional peroxide radical initiation conditions. Monitoring reaction progress under electrochem. conditions provides mechanistic insight into the C-H functionalization of a series of heterocycles of interest in medicinal chem. In the experiment, the researchers used many compounds, for example, 4-Bromo-1-methylimidazole (cas: 25676-75-9HPLC of Formula: 25676-75-9).

4-Bromo-1-methylimidazole (cas: 25676-75-9) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.HPLC of Formula: 25676-75-9

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Cultivation affects soil organic nitrogen: pyrolysis-mass spectrometry and nitrogen K-edge XANES spectroscopy evidence was written by Leinweber, Peter;Walley, Fran;Kruse, Jens;Jandl, Gerald;Eckhardt, Kai-Uwe;Blyth, Robert I. R.;Regier, Tom. And the article was included in Soil Science Society of America Journal in 2009.Product Details of 3034-41-1 This article mentions the following:

Elucidating mol.-chem. changes that the soil organic N (SON) pool has undergone following long-term cultivation remains a challenge. Our objective was to examine SON compounds in paired native and long-term cultivated soils using three independent anal. methods. Curie-point pyrolysis-gas chromatog./mass spectrometry revealed approx. 60 different organic N-containing mols. of which 11, 13, and 14 were less and 8, 16, and 11 more abundant in the cultivated than in the native soils from Lethbridge, Macklin, and St. Denis, resp. Pyrolysis-field ionization mass spectrometry (Py-FIMS) revealed that heterocyclic N compounds such as substituted pyrroles and pyridines contributed to the overall cultivation-induced changes. Furthermore, Py-FIMS showed that cultivated sites preferentially lost thermally labile peptides and, to a lesser extent, other labile N-containing compounds The magnitude of losses decreased in the order Lethbridge (80 yr cultivation) > Macklin (85 yr cultivation) > St. Denis (57 + yr cultivation). Relative gains in thermally stable N-containing compounds (all sites) and peptides (Macklin only) followed the same order. The weaker cultivation effect at St. Denis probably reflects a greater inherent stability of SON compounds in the native soil, as indicated by onsets and peaks in the thermal volatilization curves at 40 K higher pyrolysis temperature Synchrotron-based N K-edge x-ray near-edge fine structure spectroscopy confirmed the enrichment of nitriles and N-heterocycles in the cultivated Lethbridge soil at the expense of amide N. Our multimethodol. approach provided evidence for the enrichment of a relatively stable nonproteinaceous pool of SON on cultivation. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Product Details of 3034-41-1).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) 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. 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 3034-41-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Photoredox-Catalyzed Decarboxylative C-H Acylation of Heteroarenes was written by Jia, Wei;Jian, Yong;Huang, Binbin;Yang, Chao;Xia, Wujiong. And the article was included in Synlett in 2018.Application In Synthesis of 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde This article mentions the following:

A mild, environmentally friendly, and regioselective acylation of heterocycles with inexpensive carboxylic acids is reported via photoredox catalysis. The strategy is highlighted with good functional group tolerance and substrate scope which could rapidly realize the acylation of various heterocyclic compounds In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4Application In Synthesis of 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde).

1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4) 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).Application In Synthesis of 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem