Month: January 2023

Multivariate statistical optimization of the ethanol fuel dehydration process using ionic liquids was written by Cavalcanti, Claudia Jessica Da Silva;Queiroz, Joao Paulo Da Silva;Stragevitch, Luiz;Rodrigues De Carvalho, Florival;Pimentel, Maria Fernanda. And the article was included in Chemical Industry & Chemical Engineering Quarterly in 2021.Synthetic Route of C4H7ClN2 This article mentions the following:

In this work, the ethanol fuel dehydration process was optimized using the Aspen Plus simulator and a multivariate statistical technique based on the desirability function. The suitability of the ionic liquids 1-methylimidazolium chloride ([Mim][Cl]), 1-ethyl-3-methylimidazolium chloride ([Emim][Cl]), 1-butyl–3-methylimidazolium chloride ([Bmim][Cl]) and 1-hexyl-3-methylimidazolium chloride ([Hmim][Cl]), as extractive distillation entrainers, was also evaluated and compared to the conventional solvents, ethylene glycol and cyclohexane. Among the solvents studied, [Mim][Cl] required the lowest energy consumption, about 8% less energy use when compared to the optimized process using ethylene glycol. The multivariate statistical techniques employed were effective in the optimization of the extractive distillation processes as the process energy consumption could be minimized while achieving ethanol purity in agreement with the current specifications as well as obtaining a high solvent recovery. With the desirability approach it was possible to improve the process performance with little or no modification of existing processing plants. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Synthetic Route of C4H7ClN2).

1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3) 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.Synthetic Route of C4H7ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis of intermediates of polyamide-DNA recognition molecule was written by Xiao, Junhua;Huang, Chuanqiang;Tang, Feili;Yuan, Gu. And the article was included in Huaxue Tongbao in 2000.Category: imidazoles-derivatives This article mentions the following:

A series of intermediates of polyamide as DNA recognition mols., e.g., dimers, trimers, and tetramers composed of N-methylpyrrole, N-methylimidazole, γ-aminobutyric acid, and β-aminopropionic acid, was prepared by chloroform reaction and DCC (1,3-dicyclohexylcarbodiimide)/HOBT (1-hydroxy-benzotriazole) coupling reaction. In the experiment, the researchers used many compounds, for example, Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate (cas: 109012-23-9Category: imidazoles-derivatives).

Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate (cas: 109012-23-9) 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. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Preformulation study for candesartan cilexetil buccal (Effervescent) tablet was written by Pansuriya, K.;Parejiya, P.;Suthar, D.;Shelat, P.;Vekariya, A.;Patel, H.. And the article was included in Pharma Innovation in 2019.Quality Control of 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate This article mentions the following:

Candesartan cilexetil is novel, potent and highly selective non peptide angiotensin II type 1 receptor blocker. It is hydrophobic drug which belongs to BCS Class II drug. For enhancement the bioavability and quick systemic action of candesartan cilexetil a novel formulation of buccal (effervescent) tablet was designed. Preformulation is an important step in the rational formulation of an active pharmaceutical ingredient (API). Micromeritics properties: Bulk d. (du), Tapped d. (db), Compressibility Index (%C) and sieve anal. was performed in order to determine the best excipients to be used in the formulation development of Candesartan cilexetil (effervescent) tablets. Results show that Candesartan Cilexetil has fair flow and compressibility properties du 0.8 g/mL, db 0.7 g/mL, %C 12.5 and sieve anal. time 4.5 min. HPLC method for estimation of Candesartan cilexetil shows linearity (R2 = 1) and specific with no interference of excipients. Solubility studies reveals that it soluble at pH 6.8 and 7.5 in phosphate buffer. The ability of material to absorb water (Hygroscopicity) was found 0.1% after 24 Hrs at 80% Relative Humidity. M.p. rage from 161-165°C. There was no any drug excipients interaction was observed when analyzed through FTIR and DSC. There was no change in appearance after 15 days at 40°C and 75% Relative humidity. These all results lead to the better development of Candesartan cilexetil buccal (effervescent) tablet. In the experiment, the researchers used many compounds, for example, 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5Quality Control of 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate).

1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5) 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. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Quality Control of 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

A priori prediction of complex liquid-liquid-liquid equilibria in organic systems using a continuum solvation model was written by Bairagya, Priyotosh;Kundu, Debashis;Banerjee, Tamal. And the article was included in Physical Chemistry Chemical Physics in 2020.Application of 404001-48-5 This article mentions the following:

Liquid-liquid-liquid equilibrium (LLLE) is usually observed in many industrial processes primarily linked to enhanced oil recovery techniques. However their measurements are complex and so are their computations. An inherently predictive tool is often useful for elucidating their distribution ratios and phase compositions In the present work, the phase behavior of nine ternary and two quaternary LLLE systems were predicted employing the quantum chem. based COnductor like Screening MOdel-Segment Activity Coefficient (COSMO-SAC) model. The methodol. namely, Rachford-Rice LLLE (RRL3E) algorithm and Henley-Rosen LLLE (HRL3E) algorithm were used to predict the triphasic compositions in each system. In the RRL3E approach, the triphasic systems were assumed into two co-existing biphasic liquid-liquid equilibrium systems, whereas in the HRL3E approach, all three phases were considered to be in equilibrium with each other simultaneously. Apart from predicting the local compositions, the HRL3E algorithm was also used to predict the individual phase splits and phase fractions of the LLLE region. Average overall root mean square deviation (rmsd (%)) values considering all 42 datasets and corresponding to 414 data points were recorded as 4.65% and 4.83% using the RRL3E and HRL3E algorithms resp. Further, the RRL3E algorithm was extended to correlate the LLLE data for all systems using the Genetic Algorithm (GA) based NRTL (GA-NRTL) and UNIQUAC (GA-UNIQUAC) models. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Application of 404001-48-5).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) 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).Application of 404001-48-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

COSMO-SAC molecular screening method to analyze imidazole ionic liquids for toluene vapor absorption was written by Zhang, Wenlin;Yan, Jiawei;Sun, Tengfei;Zhang, Bin;Lan, Xiaoyan;Li, Chunli. And the article was included in Huagong Xuebao (Chinese Edition) in 2018.HPLC of Formula: 404001-48-5 This article mentions the following:

Imidazolium ionic liquids as toluene vapor absorbent were evaluated by a mol. screening method based on the COSMO-SAC model. A σ-map was established for hundred common imidazolium ionic liquids composed of N,N′-dialkylimidazolium cation and an anion. Absorption potential of ionic liquids to toluene vapor at 303.15 K was calculated from the σ-map and was used as thermodn. evaluation criterion to screen absorbents. Exptl. measurements on saturated absorption of toluene vapor in six ionic liquids showed consistent results with these of mol. screening, which verified reliability of this mol. screening method. Interaction energy of ionic liquid cation and toluene was calculated by Gaussian 09 software. Subsequently, effects of kinetic factors such as vapor inlet concentration and velocity were explored. An initial toluene absorption by ionic liquid reached to 96.2% under temperature of 303.15 K, inlet concentration of 10000 mg · m^-3, and inlet velocity of 0.05 m³ · h^-1. Further study indicated that toluene absorption was almost not changed with increasing number of repeated use cycles of ionic liquid absorbents. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5HPLC of Formula: 404001-48-5).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) 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. HPLC of Formula: 404001-48-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Color reactions of 2,6-dichloroquinone chloroimide with derivatives of glyoxaline-2-thiol was written by Searle, C. E.. And the article was included in Journal of Applied Chemistry in 1955.Synthetic Route of C6H8N2O2S This article mentions the following:

A large number of glyoxaline-2-thiols and some 2-alkylthioglyoxalines react with 2,6-dichloroquinone chloroimide at pH 8 to give colored products which are in most cases soluble in CHCl₃. In the experiment, the researchers used many compounds, for example, Ethyl 2-mercapto-1H-imidazole-4-carboxylate (cas: 64038-64-8Synthetic Route of C6H8N2O2S).

Ethyl 2-mercapto-1H-imidazole-4-carboxylate (cas: 64038-64-8) 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 also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.Synthetic Route of C6H8N2O2S

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Theoretical elucidation of the multi-functional synthetic methodology for switchable Ni(0)-catalyzed C-H allylations, alkenylations and dienylations with allenes was written by Liu, Yuxia;Wang, Kaifeng;Ling, Baoping;Chen, Guang;Li, Yulin;Liu, Lingjun;Bi, Siwei. And the article was included in Catalysis Science & Technology in 2020.Quality Control of 1-Methylbenzimidazole This article mentions the following:

The Ni(0)-catalyzed coupling of benzimidazole with 1,1-disubstituted allenes represents a new strategy for achieving controllable C-H allylations, alkenylations and dienylations. To understand the detailed mechanisms and origins of the switchable selectivities, d. functional theory (DFT) calculations were conducted. The results using a tBu-substituted allene demonstrate that the formation of the allylated product involves a Ni-catalyzed C-H activation mechanism through ligand-to-ligand-hydrogen transfer (LLHT) under base-free conditions. In contrast, a Ni/NaOtBu co-promoted C-H activation mechanism is newly proposed in the presence of NaOtBu, which is remarkably different from the previously reported literature. The novel mechanism emphasizes that NaOtBu abstracts the Ni-activated heterocyclic (ipso-C)H atom followed by turnover limiting Ni slippage, and subsequently the allylated product is generated after alkene insertion and protonation. The strong electrostatic attraction between Ni and heterocyclic ipso-C in the Ni slippage pre-intermediate is critical for facilitating the Ni slippage. Once formed, the allylated product, assisted by NaOtBu, further evolves into a more stable alkenylated isomer. Employing a (tert-butyldimethylsilyl)-ether substituted allene as the substrate, the NaOtBu-induced chemoselectivity for dienylation vs. alkenylation was also probed and it was found that the O(tBu)-H···O(Si) hydrogen bonding interaction in the C-O(Si) cleavage pre-intermediate remarkably weakens the adjacent C-O(Si) σ-bond, thereby resulting in an exclusive C-O(Si) cleaved dienylation product. Further theor. predictions suggest that the chemoselectivity might be reversed by replacing tBu in NaOtBu by the withdrawing C(CF₃)₃ group. 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. 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.Quality Control of 1-Methylbenzimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Versatile and Scalable Method for Producing N-Functionalized Imidazoles was written by Bara, Jason E.. And the article was included in Industrial & Engineering Chemistry Research in 2011.Reference of 21252-69-7 This article mentions the following:

A method for producing sodium imidazolate (NaIm) at a scale of ∼400 g from only commodity starting materials has been developed. The NaIm product was then utilized as a starting material to produce 20 different N-functionalized imidazole and bis(imidazole) compounds, with the application of a common procedure involving minimal solvent volumes and straightforward purification via flash chromatog. and solvent evaporation Generating N-functionalized imidazoles “on demand” from NaIm and alkyl halides (or similar compounds) can eliminate the need for hazardous starting materials such as NaH and anhydrous solvents that have typically been employed in their synthesis. In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7Reference of 21252-69-7).

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–C6) is higher than in water and generally decreases with a Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Reference of 21252-69-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis and antiplasmodial activity of new heteroaryl derivatives of 7-chloro-4-aminoquinoline was written by Casagrande, Manolo;Barteselli, Anna;Basilico, Nicoletta;Parapini, Silvia;Taramelli, Donatella;Sparatore, Anna. And the article was included in Bioorganic & Medicinal Chemistry in 2012.Application of 22600-77-7 This article mentions the following:

With the aim to investigate the effect of different heterocyclic rings linked to the 4-aminoquinoline nucleus on the antimalarial activity, a set of 7-chloro-4-(heteroarylmethylamino)quinoline and 7-chloro-4-(heteroarylamino)quinoline derivatives was synthesized and tested in vitro against D-10 (CQ-S) and W-2 (CQ-R) strains of Plasmodium falciparum. All compounds exhibited from moderate to high antiplasmodial activities. The activity was strongly influenced both by the presence of a methylenic group, as a spacer between the 4-aminoquinoline and the heterocyclic ring, and by the presence of a basic head. The most potent mols. inhibited the growth of both CQ-S and CQ-R strains of P. falciparum with IC₅₀ < 30 nM and were not toxic against human endothelial cells. These results confirm that the presence of an heteroaryl moiety in the side chain of 7-chloro-4-aminoquinoline is useful for the design and development of new powerful antimalarial agents. In the experiment, the researchers used many compounds, for example, (1H-Imidazol-2-yl)methanamine dihydrochloride (cas: 22600-77-7Application of 22600-77-7).

(1H-Imidazol-2-yl)methanamine dihydrochloride (cas: 22600-77-7) 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 derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Application of 22600-77-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis and pharmacological activity of amides of 2,3-dihydroimidazo- and 2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazolyl-N-acetic acids was written by Anisimova, V. A.;Spasov, A. A.;Kosolapov, V. A.;Tolpygin, I. E.;Tibir’kova, E. V.;Salaznikova, O. A.;Kuznetsova, V. A.;Gurova, N. A.;Lenskaya, K. V.;Yakovlev, D. S.;Mal’tsev, D. V.;Kolobrodova, N. A.;Mitina, T. M.;Grechko, O. Yu.. And the article was included in Pharmaceutical Chemistry Journal in 2013.Category: imidazoles-derivatives This article mentions the following:

A series of amides of 2,3-dihydroimidazo- and 2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazolyl-N-acetic acids were synthesized. Their pharmacol. activity was studied. It was established that the synthesized substances possessed antiaggregant properties and antiarrhythmic activity. Some of these amides exhibited antioxidant and hypoglycemic effects in addition to antagonist activity with respect to serotonin 5-HT₂ and purine P2Y₁ receptors. In the experiment, the researchers used many compounds, for example, 2,3-Dihydro-1H-benzo[d]imidazo[1,2-a]imidazole (cas: 24134-26-7Category: imidazoles-derivatives).

2,3-Dihydro-1H-benzo[d]imidazo[1,2-a]imidazole (cas: 24134-26-7) 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 derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem