Month: February 2023

Design and synthesis of aminothiazole based Hepatitis B Virus (HBV) capsid inhibitors was written by Pan, Ting;Ding, Yanchao;Wu, Liyang;Liang, Liting;He, Xin;Li, Qianwen;Bai, Chuan;Zhang, Hui. And the article was included in European Journal of Medicinal Chemistry in 2019.Recommanded Product: 3-Cyanobenzoyl chloride This article mentions the following:

The capsid assembly is an essential step for Hepatitis B Virus (HBV) life cycle and is an important target for anti-HBV drug development. In this report, we identified a hit compound with aminothiazole structure by the high throughput screening (HTS) which inhibited the interaction of HBV capsid protein within the cells. The structure hopping and SAR studies of the hit compound afforded compound 79 with potent anti-HBV replication activity and good basic drug-like properties. The working mechanism studies showed that compound 79 could bind to the similar binding site of known HBV capsid inhibitor with heteroaryldihydropyrimidine (HAP) scaffold, through similar hydrophobic interactions but with a different hydrogen bond. This compound exerted potent inhibitory effect upon HBV production, either in cell culture or in mice with no obvious acute toxicity. We propose that further development of this compound could lead to novel potent anti-HBV inhibitors that target HBV capsid assembly. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Recommanded Product: 3-Cyanobenzoyl chloride).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Recommanded Product: 3-Cyanobenzoyl chloride

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Chromium(II)-Mediated Reformatskii Reactions of Carboxylic Esters with Aldehydes was written by Wessjohann, Ludger;Gabriel, Tobias. And the article was included in Journal of Organic Chemistry in 1997.Formula: C9H9ClO2 This article mentions the following:

Chromium dichloride reacts with α-halo esters and aldehydes in a Barbier-type reaction to give β-hydroxy esters in good to excellent yield. The reaction is of excellent reproducibility and chemoselectivity and suitable for microscale preparations and the construction of quaternary centers. The simple diastereoselectivity is preferentially anti and contrasts with that of comparable Reformatskii reactions. The effects of substituents, temperature, halogen, and additives are discussed briefly. In the experiment, the researchers used many compounds, for example, Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6Formula: C9H9ClO2).

Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Formula: C9H9ClO2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Occurrence of endocrine disrupting chemicals (EDCs) in river water, ground water and agricultural soils of India was written by Saha, S.;Narayanan, N.;Singh, N.;Gupta, S.. And the article was included in International Journal of Environmental Science and Technology in 2022.Recommanded Product: 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea This article mentions the following:

Endocrine disrupting chems. are exogenous chems. which alter the functions of endocrine system. There are very few studies of occurrence and distribution of endocrine disrupting chems. in water, soil and their potential human health risks under Indian conditions. In the present work, occurrence of eleven endocrine disrupting chems. namely bisphenol-A, triclosan, triclocarbon, 4-nonylphenol, 4-tert octylphenol, Me paraben, Pr paraben, Bu paraben, benzyl Bu phthalate, di (2-ethylhexyl) phthalate and di-Bu phthalate have been investigated in 20 river water samples, 5 ground water samples and 23 agricultural soil samples collected from 26 sampling points of different agro-climatic zones of India during 2019-2020. Instrument detection and quantification limits of different endocrine disrupting chems. using LC-MS/MS varied from 0.001 to 0.05 and 0.005-0.1 μg/mL, resp. Detection frequencies of bisphenol A, 4-nonylphenol, 4-tert octylphenol and di-Bu phthalate were 100% in river water samples. In ground water samples di-Bu phthalate, benzyl Bu phthalate, di (2-ethylhexyl) phthalate, triclosan, triclocarbon, 4-tert octylphenol, 4-nonylphenol, Pr paraben and Bu paraben and in soils 4-tert octylphenol, 4-nonylphenol, bisphenol-A and di-Bu phthalate were detected in 100% sample. High mean concentrations of di (2-ethylhexyl) phthalate were recorded in river waters (2706.135 μg/L), ground waters (3203.33 μg/L) and agricultural soils (1005.490 ng/g). Other chems. detected in high concentrations were 4-tert octylphenol (180.680-829.93 μg/L), di-Bu phthalate (117.492-182.29 μg/L) and bisphenol-A (13.99-228.03 μg/L). Widespread distribution and high concentrations of these chems. in water and soil is a cause of concern and, therefore, continued monitoring of these chems. in different environmental matrixes is the need of the hour. In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2Recommanded Product: 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea).

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Recommanded Product: 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Synthesis and antifungal activities of 2-(2,4- difluorophenyl)-3-(N-methyl-N-substituted acylamino)-1-(1H-1,2,4- triazol-1-yl)-2-propanol was written by Zhong, Wu;Zhang, Wannian;Li, Ke;Zhou, Youjun;Zhu, Ju;Lu, Jiaguo. And the article was included in Yaoxue Xuebao in 1999.Recommanded Product: 6834-42-0 This article mentions the following:

Twenty one new triazole compounds were designed and synthesized as potential inhibitors of the fungal cytochrome P 450 14α-demethylase, and their antifungal activities were determined by biol. tests in vitro. All compounds had antifungal activities especially against Candida albicans and Candida parapsilosis. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Recommanded Product: 6834-42-0).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Recommanded Product: 6834-42-0

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Role of Cl• • •Cl halogen bonds in tuning the crystals of Uranyl-Dicholorothiophene carboxylate based hybrid cluster materials through N-donor counter ions was written by Jennifer, Samson Jegan;Razak, Ibrahim Abdul;Ebenezer, Cheriyan;Solomon, Rajadurai Vijay. And the article was included in Journal of Molecular Structure in 2022.SDS of cas: 36157-41-2 This article mentions the following:

Hydrothermal synthesis has afforded eight uranyl bearing hybrid materials with various ancillary ligands such as 2,5-Dichlorothiophene-3-carboxylate (CTDC) as the main ligand and 4,4′-bipyridine (4BPY), 4,4′-Trimethylenedipyridine (4TBY), trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (TTPY), 1,10-Phenanthroline (PHEN), or 2,2′-Dipyridylamine (2DPY). These uranyl complexes; (UO₂) _0.5 (CTDC)(4BPY)_0.5 (I), UO₂(CTDC)₂(4BPY)_0.5, (II); [(UO₂)₄(μ₃-O)₂(μ₂-OH)₂(CTDC)₄(4TBY)₂].(H₂4TBY).2H₂O (III); [(UO₂)₂(μ3-O)(CTDC)₃].(HTTPY).H₂O (IV); [(UO₂)(CTDC)₂(PHEN)]₂ (V); [(UO₂)(μ₂-OH)(CTDC)(PHEN)] (VI); [UO₂(CTDC)₃]₂ (H2DPY)₂ (VII); [UO₂(CTDC)₃]₂ (H4TBY)₂ (VIII) were characterized by single-crystal X-ray diffraction, powder X-ray diffraction, elemental anal., FT-IR spectroscopy, thermogravimetric anal. and by their uranyl emission spectra. The complexes (I) and (II) are the first examples of uranyl complexes with aromatic carboxylates formed in the presence of a coordinated 4,4′-bipyridine ligand. Here, the complexes (V) and (VI) were concomitant polymorphs while (II) and (VIII) are polymorphs of (I) and (III) resp. and were obtained by varying the pH in synthetic procedures. Halogen bonding (Cl···Cl) interactions were found to play a strong role in expanding their dimensionality into 3D and defining their crystal packing patterns. To gain insights into the Cl···Cl interactions, a detailed QTAIM study is taken up. The photocatalytic properties of (I-VIII) for degradation of various organic dyes under Hg-lamp irradiation were performed. Interestingly, complexes (I, II, V) which are mononuclear uranyl clusters possess the highest efficiency in degradation of organic dyes than the tetranuclear uranyl clusters (III, IV). Thus, this work sheds light on the structural features of these uranyl complexes to extend our knowledge and understanding of uranyl chem. In the experiment, the researchers used many compounds, for example, 2,5-Dichlorothiophene-3-carboxylic acid (cas: 36157-41-2SDS of cas: 36157-41-2).

2,5-Dichlorothiophene-3-carboxylic acid (cas: 36157-41-2) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.SDS of cas: 36157-41-2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Chemoselective reactions of 4,6-dichloro-2-(methylsulfonyl)pyrimidine and related electrophiles with amines was written by Baiazitov, Ramil;Du, Wu;Lee, Chang-Sun;Hwang, Seongwoo;Almstead, Neil G.;Moon, Young-Choon. And the article was included in Synthesis in 2013.Category: chlorides-buliding-blocks This article mentions the following:

Chemoselective S_NAr reactions of 4,6-dichloro-2-(methylsulfonyl)pyrimidine and several related electrophiles with amines and their derivatives are described. In the presence of weak bases anilines and secondary aliphatic amines selectively displace the chloride group. Deprotonated anilines and their carbonyl derivatives displace the sulfone group. Sterically and electronically unbiased primary aliphatic amines selectively displace the sulfone group in 4,6-dichloro-2-(methylsulfonyl)pyrimidine; however, their reactions with other electrophiles generally are less selective. Steric-driven selectivity explanation was proposed. In the experiment, the researchers used many compounds, for example, tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6Category: chlorides-buliding-blocks).

tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Category: chlorides-buliding-blocks

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Isomerism of hydroxyurea. XI. Absorption spectra in the infrared was written by Kofod, Helmer. And the article was included in Acta Chemica Scandinavica in 1959.Name: Methyl 2-chloro-6-methylbenzoate This article mentions the following:

A survey of the Raman and infrared spectroscopy of urea and hydroxyurea isomers is presented, and assignment of the principal absorption frequencies is attempted. Although no rigorous proof has been furnished, the results are compatible with the proposed constitutions, carbamhydroxamic acid and O-carbamoylhydroxylamine, resp. In the experiment, the researchers used many compounds, for example, Methyl 2-chloro-6-methylbenzoate (cas: 99585-14-5Name: Methyl 2-chloro-6-methylbenzoate).

Methyl 2-chloro-6-methylbenzoate (cas: 99585-14-5) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Name: Methyl 2-chloro-6-methylbenzoate

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Microwave Assisted Oxidation of Benzyl Halides to Aldehydes and Ketones with 4-Hydroxypyridinium Nitrate Functionalized Silica Gel in Aqueous Media was written by Ghalehbandi, Shermineh sadat;Ghazanfari, Dadkhoda;Ahmadi, Sayed Ali;Sheikhhosseini, Enayatollah. And the article was included in Organic Preparations and Procedures International in 2021.Quality Control of 1-(Chloromethyl)-3-methylbenzene This article mentions the following:

An eco-friendly heterogeneous oxidant based on 4-hydroxypyridinium nitrate functionalized silica gel was prepared for the oxidation of benzyl halides to the corresponding carbonyl compounds R¹C(O)R² [R¹ = Ph, 4-FC₆H₄, 3-MeOC₆H₄, etc.; R² = H, Me, Ph]. The oxidant was a stable solid and could be prepared from the reaction of sodium 4-pyridinolate with an acidic activated silica gel which was then reacted with HNO₃. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Quality Control of 1-(Chloromethyl)-3-methylbenzene).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Quality Control of 1-(Chloromethyl)-3-methylbenzene

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Temperature dependence of the reactions of Cl with toluene and the xylenes was written by Frazee, W. James;Roscoe, John M.. And the article was included in International Journal of Chemical Kinetics in 2019.Formula: C8H9Cl This article mentions the following:

The temperature dependence of the rate coefficients for the reactions of Cl with toluene and the xylenes was examined from 290 to 362 K. Chem. anal. was by gas chromatog. The relative rate method was used for the kinetic anal., and the relative rate coefficients were converted to absolute values using absolute rate coefficients for the reference reactions obtained from recent critical evaluations. Most of the measurements were made at a total pressure of approx. 100 kPa in argon. There was very little temperature dependence, and variation of the total pressure and the concentration of O₂ had no effect. The values of the absolute rate coefficients were independent of the reference reaction used. The reaction of Cl with toluene was studied relative to the reactions of Cl with isobutane, ethane, propane, and n-butane. The results were virtually independent of temperature, giving a mean value of (5 ± 1) x 10^-11 cm³ mol.^-1 s^-1 for the absolute rate coefficient at 95% confidence. The reactions of Cl with the xylenes were studied relative to the reactions of Cl with isobutane, ethane, and propane. The rate coefficients were independent of the xylene isomer and had a very small neg. dependence on temperature The mean value of the absolute rate coefficient at 298 K was (1.4 ± 0.3) x 10^-10 cm3 mol.^-1 s^-1 at the 95% confidence level. The results are in satisfactory agreement with those in the literature, all of which were measured at fixed temperatures very close to 298 K. The kinetic results are discussed in relation to published descriptions of the dynamics of reactions of Cl and OH with organic compounds In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Formula: C8H9Cl).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Formula: C8H9Cl

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Sulfonyliminoimidazolidines. A new class of oral hypoglycemic agents. 1. 1-[[p-[2-(Acylamino)ethyl]phenyl]sulfonyl]-2-iminoimidazolidines was written by Schweizer, Ernst H.;Maerki, Fritz;Lehmann, Claude;Dietrich, Henri. And the article was included in Journal of Medicinal Chemistry in 1983.SDS of cas: 3438-16-2 This article mentions the following:

A series of 1-[[p-[2-(acylamino)ethyl]phenyl]sulfonyl]-2-iminoimidazolidines were prepared from I (R = H). Compounds from this new class of oral hypoglycemic agents lowered blood glucose in normal and in streptozotocin-diabetic rats. Potent analogs were obtained by modification of the acyl residue. I (R = trans-MeCH:CHCO) was the most potent compound in the normal rat (20 times tolbutamide), and I (R = 5-methyl)-3-isoxazolylcarbonyl) displayed the highest potency in the diabetic rat (similar to phenformin). Structure-activity relationships were discussed. In the experiment, the researchers used many compounds, for example, 5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2SDS of cas: 3438-16-2).

5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).SDS of cas: 3438-16-2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics