Month: November 2022

Discovery of novel cannabinoid receptor ligands by a virtual screening approach: Further development of 2,4,6-trisubstituted 1,3,5-triazines as CB2 agonists was written by Yrjola, Sari;Kalliokoski, Tuomo;Laitinen, Tuomo;Poso, Antti;Parkkari, Teija;Nevalainen, Tapio. And the article was included in European Journal of Pharmaceutical Sciences in 2013.Synthetic Route of C9H6Cl2N4 The following contents are mentioned in the article:

3D ligand-based virtual screening was employed to identify novel scaffolds for cannabinoid receptor ligand development. A total of 112 compounds with diverse structures were purchased from com. vendors. 12 CB1 receptor antagonists/inverse agonists and 10 CB2 receptor agonists were identified in vitro. One of the CB2 agonists, N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine (19, -log EC₅₀ = 7.5, E_max = 255%) was selected for further development. As far as we are aware, the compound’s 1,3,5-triazine scaffold represents a new core structure for CB2 agonists. A library of fifty-seven 2,4,6-trisubstituted-1,3,5-triazines was created to clarify the structure-activity relationship study of the analogs. This study involved multiple reactions and reactants, such as 4,6-Dichloro-N-phenyl-1,3,5-triazin-2-amine (cas: 2272-40-4Synthetic Route of C9H6Cl2N4).

4,6-Dichloro-N-phenyl-1,3,5-triazin-2-amine (cas: 2272-40-4) 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.Synthetic Route of C9H6Cl2N4

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

Realizing the Trifunctional Potential of Alkyl 4-Chloro-2-diazo-3-oxobutanoates: Convenient Assembly of 6,7-Dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]thiazine Core was written by Dar’in, Dmitry;Khoroshilova, Olesya;Kantin, Grigory;Krasavin, Mikhail. And the article was included in Synthesis in 2020.Recommanded Product: Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

The first example of exploiting the trifunctional character of alkyl 4-chloro-2-diazo-3-oxobutanoates in the reactions with vicinal N,S-bis-nucleophiles led to the formation of bicyclic 6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]thiazines was presented. The key to the successful realization of the atom-economical synthetic strategy was the initial SN₂ event, which facilitated the subsequent domino 1,2,3-triazole formation via the Wolff reaction. Equally important was the choice of sodium acetate as the base: acetic acid formed in the course of the initial nucleophilic substitution acted as an efficient catalyst for the Wolff reaction, which suppressed the competing, unwanted fragmentation path (observed when other bases were used). This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Recommanded Product: Ethyl 4-chloro-3-oxobutanoate).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Recommanded Product: Ethyl 4-chloro-3-oxobutanoate

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

Electron-Deficient Olefin Ligands Enable Generation of Quaternary Carbons by Ni-Catalyzed Cross-Coupling was written by Huang, Chung-Yang;Doyle, Abigail G.. And the article was included in Journal of the American Chemical Society in 2015.Application of 6294-17-3 The following contents are mentioned in the article:

A Ni-catalyzed Negishi cross-coupling with 1,1-disubstituted styrenyl aziridines has been developed. This method delivers valuable β-substituted phenethylamines via a challenging reductive elimination that affords a quaternary carbon. A novel electron-deficient olefin ligand, I (Fro-DO), proved crucial for achieving high rates and chemoselectivity for C-C bond formation over β-H elimination. This ligand is easy to access, is stable, and presents a modular framework for reaction discovery and optimization. We expect that these attributes, combined with the fact that the ligands impart distinct electronic properties to a metal, will support the invention of new transformations not previously possible using established ligands. This study involved multiple reactions and reactants, such as 1-Bromo-6-chlorohexane (cas: 6294-17-3Application of 6294-17-3).

1-Bromo-6-chlorohexane (cas: 6294-17-3) 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 are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Application of 6294-17-3

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

Cyclization of 1-(4,4-diethoxybutyl)-3-arylureas: a case study was written by Smolobochkin, Andrey V.;Gazizov, Almir S.;Voronina, Julia K.;Burilov, Alexander R.;Pudovik, Michail A.. And the article was included in Monatshefte fuer Chemie in 2018.Safety of 4-Chlororesorcinol The following contents are mentioned in the article:

The study on the reaction of (4,4-diethoxybutyl)ureas with nucleophilic aromatics was reported herein. It was found that the structure of the products mainly depends on the strength of the acid used as catalyst as well as aromatic nucleophile nature and its concentration Either 2-arylpyrrolidines e.g., (R,S)-2,2′-(4,6-Dihydroxy-5-methyl-1,3-phenylene)bis[N-(naphthalen-1-yl)pyrrolidine-1-carboxamide], diarylbutanes, 1-[4,4-Bis(5-chloro-2,4-dihydroxyphenyl)butyl]-3-(naphthalen-1-yl)urea, bispyrrole derivatives, N-(Naphthalen-1-yl)-4-[1-(naphthalen-1-ylcarbamoyl)pyrrolidin-2-yl]-2,3-dihydro-1H-pyrrole-1-carboxamide, or pyrrolidinequinazolinones can be synthesized via variation of these factors. The proposed mechanism of the reaction is discussed. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Safety of 4-Chlororesorcinol).

4-Chlororesorcinol (cas: 95-88-5) 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. 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.Safety of 4-Chlororesorcinol

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

Organozinc Chemistry Enabled by Micellar Catalysis. Palladium-Catalyzed Cross-Couplings between Alkyl and Aryl Bromides in Water at Room Temperature was written by Duplais, Christophe;Krasovskiy, Arkady;Lipshutz, Bruce H.. And the article was included in Organometallics in 2011.Computed Properties of C6H12BrCl The following contents are mentioned in the article:

Negishi-like cross-couplings between (functionalized) alkyl and aryl bromides are described. Despite the fact that organozinc reagents are intolerant of water, their formation as well as their use in an aqueous micellar environment is discussed herein. Each component of this complex series of events leading up to C-C bond formation has an important role which has been determined insofar as the type of zinc, amine ligand, surfactant, and palladium catalyst are concerned. In particular, the nature of the surfactant has been found to be crucial in order to obtain synthetically useful results involving highly reactive, moisture-sensitive organometallics. Neither organic solvent nor heat is required for these cross-couplings to occur; just add water. This study involved multiple reactions and reactants, such as 1-Bromo-6-chlorohexane (cas: 6294-17-3Computed Properties of C6H12BrCl).

1-Bromo-6-chlorohexane (cas: 6294-17-3) 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. 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.Computed Properties of C6H12BrCl

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

Catalytic reductive cyclization of 2-nitrobiphenyls using phenyl formate as CO surrogate: A robust synthesis of 9H-carbazoles was written by Ramadan, Doaa R.;Ferretti, Francesco;Ragaini, Fabio. And the article was included in Journal of Catalysis in 2022.Quality Control of Sodium tetrachloropalladate(II) The following contents are mentioned in the article:

A palladium/phenanthroline catalyzed reductive cyclization of o-nitrobiphenyls to 9H-carbazoles operated by in situ released CO is described. In the present method, the presence of Ph formate is essential to avoid the use of high-pressure equipment and allows to perform the reaction in a single thick-walled glass tube. The identity of the base, which catalyzes the formate decomposition, is crucial to the selectivity of the reaction. Stability of the catalyst is influenced by the presence of chloride anions. Carbazole yields are most often higher than those previously reported using pressurized CO. The optimized catalytic system features excellent stability and moisture and air tolerance allowing to perform the reaction with low catalyst loadings. This study involved multiple reactions and reactants, such as Sodium tetrachloropalladate(II) (cas: 13820-53-6Quality Control of Sodium tetrachloropalladate(II)).

Sodium tetrachloropalladate(II) (cas: 13820-53-6) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Quality Control of Sodium tetrachloropalladate(II)

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

A Fluorescent Probe for Neural Stem/Progenitor Cells with High Differentiation Capability into Neurons was written by Kim, Beomsue;Feng, Suihan;Yun, Seong-Wook;Leong, Cheryl;Satapathy, Rudrakanta;Wan, Si Yan Diana;Chang, Young-Tae. And the article was included in ChemBioChem in 2016.Name: 4-Chlororesorcinol The following contents are mentioned in the article:

Selection of a specific neural stem/progenitor cells (NSPCs) has attracted broad attention in regenerative medicine for neurol. disorders. Here, we report a fluorescent probe, CDg13, and its application for isolating strong neurogenic NSPCs. In comparison to the NSPCs isolated by other biomarkers, CDg13-stained NSPCs showed higher capability to differentiate into neurons. Target identification revealed that the fluorescence intensity of the probe within cells is inversely proportional to the expression levels of mouse and human Abcg2 transporters. These findings suggest that low Abcg2 expression is a biomarker for neurogenic NSPCs in mouse brain. Furthermore, CDg13 can be used to isolate Abcg2^low cells from heterogeneous cell populations. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Name: 4-Chlororesorcinol).

4-Chlororesorcinol (cas: 95-88-5) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Name: 4-Chlororesorcinol

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

Promising antimicrobial material based on hyperbranched polyacrylic acid for biomedical applications was written by Kandil, Heba;Nour, Shaimaa A.;Amin, Amal. And the article was included in International Journal of Polymeric Materials and Polymeric Biomaterials.Application In Synthesis of N-Methyl-N,N-dioctyloctan-1-aminium chloride The following contents are mentioned in the article:

A prospective antimicrobial material based on polyacrylic acid hyperbranched polymer (PAA- RAFT-HPAE) was synthesized via Reversible addition – fragmentation chain-transfer polymerization (RAFT). The antimicrobial tests showed that the prepared PAA- RAFT-HPAE exhibited strong antimicrobial activity against Gram pos. Staphylococcus aureu and Candida albicans fungus. In addition, the cytotoxicity results indicated that the PAA- RAFT-HPAE was nontoxic on BJ1 normal human fibroblast cells. Moreover, PAA-RAFT-HPAE was incorporated with different concentrations into polyvinylalc. matrix (PVA) to prepare antimicrobial bio-films. The effect of incorporation of PAA-RAFT-HPAE on the biol., mech., and thermal properties of the resulting films was investigated. This study involved multiple reactions and reactants, such as N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3Application In Synthesis of N-Methyl-N,N-dioctyloctan-1-aminium chloride).

N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3) 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. 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.Application In Synthesis of N-Methyl-N,N-dioctyloctan-1-aminium chloride

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

Theoretical and experimental investigation of NMR, IR and UV-visible spectra of hydroxyl-substituted-4-chloromethylcoumarin derivatives was written by Loarueng, Chutipapha;Boekfa, Bundet;Jarussophon, Suwatchai;Pongwan, Pawinee;Kaewchangwat, Narongpol;Suttisintong, Khomson;Jarussophon, Nongpanga. And the article was included in ARKIVOC (Gainesville, FL, United States) in 2019.Electric Literature of C6H9ClO3 The following contents are mentioned in the article:

UV-Visible, FTIR and NMR exptl. and theor. spectral results have been compared for five substituted-4-chloromethylcoumarin derivatives (6-OH, 7-OH, 6,7-di-OH, 7,8-di-OH and 5,7-di-OH-substituted-4-chloromethylcoumarins). The theor. investigation was conducted using d. functional theory (DFT), namely the M06-2X functional form with 6-311 + G(2df,2p) basis set. The ¹³C-NMR and ¹H-NMR chem. shifts, vibrational spectra and MOs of the excited states were calculated based on their optimized geometries. The calculated values were found to have close agreement with the exptl. values. The theor. data are useful and could be important in the proper selection of compounds as intermediates for different chem. applications and modifications. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Electric Literature of C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) 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 are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Electric Literature of C6H9ClO3

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

Facile Regioselective Synthesis of Novel bis-Thiazole Derivatives and Their Antimicrobial Activity was written by Mahmoodi, Nosrat O.;Parvizi, Jafar;Sharifzadeh, Bahman;Rassa, Mehdi. And the article was included in Archiv der Pharmazie (Weinheim, Germany) in 2013.Recommanded Product: 1-Bromo-6-chlorohexane The following contents are mentioned in the article:

The design and synthesis of several new bis[thiazole] derivatives serving as bis[drug] dimers in comparison with mono-heterocyclic analogs are described. These bis-drugs present superior medicinal and pharmacol. activities against both Gram-neg. (Pseudomonas aeruginosa and Escherichia coli) and Gram-pos. (Micrococcus luteus and Bacillus subtilis) bacteria, which are in general more sensitive to compounds with higher hydrophobicity. Compounds with higher hydrophobicity exhibited some activity against Gram-neg. bacteria. The synthesis of the target compounds was achieved by a cyclization of thiourea with (phenyl)ethanone dimer derivatives The title compounds thus formed included a thiazolamine dimer compound (I) and related substances. This study involved multiple reactions and reactants, such as 1-Bromo-6-chlorohexane (cas: 6294-17-3Recommanded Product: 1-Bromo-6-chlorohexane).

1-Bromo-6-chlorohexane (cas: 6294-17-3) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Recommanded Product: 1-Bromo-6-chlorohexane

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