Month: November 2022

Synthesis and studies of some novel s-triazine based aminopyrimidines, isoxazoles and 1,5-benzothiazepines was written by Solankee, Anjani;Kapadia, Kishor;Solankee, Pankit;Prajapati, Yogesh;Patel, Hiral;Solankee, Sejal. And the article was included in Indian Journal of Chemistry in 2007.SDS of cas: 2272-40-4 The following contents are mentioned in the article:

Elegant syntheses of aminopyrimidines I (R = H, 2-Cl, 3-Cl, 2-NO₂, 2-MeO), isoxazoles II, and 1,5-benzothiazepines III are presented starting from chalcones IV based on the s-triazine nucleus. These chalcones IV, on cyclization with guanidine nitrate or hydroxylamine hydrochloride in the presence of alkali give I and II, resp. Further IV, on cyclization with 2-aminothiophenol in the presence of few drops of glacial acetic acid give III. All the products obtained from these reactions are characterized by elemental anal., IR, ¹H NMR and mass spectral data. This study involved multiple reactions and reactants, such as 4,6-Dichloro-N-phenyl-1,3,5-triazin-2-amine (cas: 2272-40-4SDS of cas: 2272-40-4).

4,6-Dichloro-N-phenyl-1,3,5-triazin-2-amine (cas: 2272-40-4) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.SDS of cas: 2272-40-4

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

Discovery of AS-0141, a Potent and Selective Inhibitor of CDC7 Kinase for the Treatment of Solid Cancers was written by Irie, Takayuki;Asami, Tokiko;Sawa, Ayako;Uno, Yuko;Taniyama, Chika;Funakoshi, Yoko;Masai, Hisao;Sawa, Masaaki. And the article was included in Journal of Medicinal Chemistry in 2021.Formula: C6H9ClO3 The following contents are mentioned in the article:

CDC7, a serine-threonine kinase, plays conserved and important roles in regulation of DNA replication and has been recognized as a potential anticancer target. We report here the optimization of a series of furanone analogs starting from compound 1 with a focus on ADME properties suitable for clin. development. By replacing the 2-chlorobenzene moiety in 1 with various aliphatic groups, we identified compound 24 as a potent CDC7 inhibitor with excellent kinase selectivity and favorable oral bioavailability in multiple species. Oral administration of 24 demonstrated robust in vivo antitumor efficacy in a colorectal cancer xenograft model. Compound 24 (AS-0141) is currently in phase I clin. trials for the treatment of solid cancers. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Formula: 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. 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: C6H9ClO3

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

An expedient one-pot tandem method for the synthesis of 3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-ones under green conditions was written by Kavitha, K.;Srikrishna, D.;Dubey, Pramod Kumar;Aparna, P.. And the article was included in Journal of the Iranian Chemical Society in 2019.COA of Formula: C6H9ClO3 The following contents are mentioned in the article:

This paper describes a facile pathway for the one-pot three-component synthesis of 3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-ones starting from ethyl-4-chloroacetoacetate by treating it with equimolar amounts of various phenylthioureas and salicylaldehyde. Use of biosynthetically prepared L-proline as an efficient catalyst and naturally extracted renewable polyethylene glycol-600 (PEG-600) as an effective green reaction media are the added advantages of this method. Alternatively, tandem, stepwise methods have been proposed to isolate the intermediate and to study the possible reaction mechanism. These reactions are very simple, rapid, cost effective, industrially viable, which would be applied for various biomass conversions. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3COA of Formula: C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. 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.COA of Formula: C6H9ClO3

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

New stable donor-acceptor dyads for molecular electronics was written by Kondratenko, Mykola;Moiseev, Andrey G.;Perepichka, Dmitrii F.. And the article was included in Journal of Materials Chemistry in 2011.Application In Synthesis of 1-Bromo-6-chlorohexane The following contents are mentioned in the article:

A series of new donor-bridge-acceptor dyads with high chem., electrochem., thermal and conformational stability were synthesized by Stille coupling of oligo(3,4-ethylenedioxy)thiophenes (nEDOTs) and 1,4,5,8-naphthalenetetracarboxydiimide (NDI) building blocks. The mol. design provides for complete separation of HOMO and LUMO orbitals. A thiol functionality allows for selective anchoring of the dyads to metal electrodes, through either the donor or acceptor sides of the mol. The optoelectronic properties of the dyads, both in solution and in self-assembled monolayers on gold, were characterized by electrochem., spectroelectrochem. and UV-Vis absorption/emission spectroscopy and the results were further supported by DFT calculations This study involved multiple reactions and reactants, such as 1-Bromo-6-chlorohexane (cas: 6294-17-3Application In Synthesis of 1-Bromo-6-chlorohexane).

1-Bromo-6-chlorohexane (cas: 6294-17-3) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Application In Synthesis of 1-Bromo-6-chlorohexane

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

Functionalized Phosphonated Half-Cage Molecules as Ligands for Metal Complexes was written by Villemin, Elise;Herent, Marie-France;Marchand-Brynaert, Jacqueline. And the article was included in European Journal of Organic Chemistry in 2012.Application of 6294-17-3 The following contents are mentioned in the article:

Phosphonated mols., featuring a half-cage structure and a N-lateral chain with addnl. metal coordinating groups were designed as ligands of metal cations. These compounds were synthesized by a Diels-Alder (DA) strategy, using 1-diethoxyphosphoryl-1,3-butadiene and a series of N-substituted maleimides as dienophiles. Two cycloadducts, bearing a terminal primary alc. and a terminal iodide, resp., were used as key intermediates for further functionalizations. Metal coordination properties of the ligands equipped with functionalized N-lateral chains were proven by an ESI-HRMS study. The stoichiometry of one selected Eu^III complex with a diphosphonated ligand was determined by photoluminescence spectroscopy in emission mode. 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. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Application of 6294-17-3

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

Application of a Ferrocene-Based Palladacycle Precatalyst to Enantioselective Aryl-Aryl Kumada Coupling was written by Arthurs, Ross A.;Hughes, David L.;Richards, Christopher J.. And the article was included in European Journal of Inorganic Chemistry in 2022.Safety of Sodium tetrachloropalladate(II) The following contents are mentioned in the article:

The palladium catalyzed reaction of 1-iodo-2-methylnaphthalene and 2-methyl-1-naphthylmagnesium bromide gave quant. an (Sa)-configured cross-coupled product in 80% e.e. using (R,Sp)-PPFA as a ligand. N,N-Dimethylaminomethylferrocene was cyclopalladated (Na₂PdCl₄, (S)-Ac-Phe-OH, 93% e.e., as determined by ¹H NMR as a result of self-induced non-equivalence), and the resulting (Sp)-configured dimeric palladacycle was employed as a precatalyst for this cross-coupling reaction (5 mol%). Addition to the palladacycle of diphenylphosphine and subsequent base-promoted bidentate ligand synthesis and palladium capture gave an in situ generated catalyst resulting in an (Sp)-configured product in up to 71% e.e. This study involved multiple reactions and reactants, such as Sodium tetrachloropalladate(II) (cas: 13820-53-6Safety of Sodium tetrachloropalladate(II)).

Sodium tetrachloropalladate(II) (cas: 13820-53-6) 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.Safety of Sodium tetrachloropalladate(II)

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

Chasing ChEs-MAO B multi-targeting 4-aminomethyl-7-benzyloxy-2H-chromen-2-ones was written by Rullo, Mariagrazia;Catto, Marco;Carrieri, Antonio;de Candia, Modesto;Altomare, Cosimo Damiano;Pisani, Leonardo. And the article was included in Molecules in 2019.Product Details of 95-88-5 The following contents are mentioned in the article:

A series of 4-aminomethyl-7-benzyloxy-2H-chromen-2-ones was investigated with the aim of identifying multiple inhibitors of cholinesterases (acetyl- and butyryl-, AChE and BChE) and monoamine oxidase B (MAO B) as potential anti-Alzheimer mols. Starting from a previously reported potent MAO B inhibitor (3), we studied single-point modifications at the benzyloxy or at the basic moiety. The in vitro screening highlighted triple-acting compounds (6, 8, 9, 16, 20) showing nanomolar and selective MAO B inhibition along with IC50 against ChEs at the low micromolar level. Enzyme kinetics anal. toward AChE and docking simulations on the target enzymes were run in order to get insight into the mechanism of action and plausible binding modes. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Product Details of 95-88-5).

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

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

1-Nicotinoylbenzotriazole: A Convenient Tool for Site-Selective Protection of 5,7-Dihydroxycoumarins was written by Fatykhov, Ramil F.;Khalymbadzha, Igor A.;Chupakhin, Oleg N.;Charushin, Valery N.;Inyutina, Anna K.;Slepukhin, Pavel A.;Kartsev, Victor G.. And the article was included in Synthesis in 2019.Application In Synthesis of 4-Chlororesorcinol The following contents are mentioned in the article:

1-Nicotinoylbenzotriazole (NicBt) was uncovered as an efficient protecting agent for the site-selective acylation of resorcinol-type phenolic groups with almost equal reactivity. The use of NicBt allows selective protection of the 7-OH group in 5,7-dihydroxycoumarins in one simple scalable step, while combination of the nicotinoylation with tosylation-denicotinoylation or silylation-denicotinoylation yields 5-OH-protected 5,7-dihydroxycoumarins. Furthermore, nicotinoylated 5,7-dihydroxycoumarins proved useful in a gram-scale three-step preparation of a 2,2-dimethylpyrano[2,3-f]coumarin, a key intermediate for the synthesis of calanolide A, an HIV reverse transcriptase and Mycobacterium tuberculosis inhibitor, and its active analogs. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Application In Synthesis of 4-Chlororesorcinol).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Application In Synthesis of 4-Chlororesorcinol

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

Discovery and SAR study of hydroxyacetophenone derivatives as potent, non-steroidal farnesoid X receptor (FXR) antagonists was written by Liu, Peng;Xu, Xing;Chen, Lili;Ma, Lei;Shen, Xu;Hu, Lihong. And the article was included in Bioorganic & Medicinal Chemistry in 2014.Name: 1-Bromo-6-chlorohexane The following contents are mentioned in the article:

Compound I [R = HO] (IC₅₀ = 35.2±7.2 μM), a moderate FXR antagonist was discovered via high-throughput screening. Structure-activity relationship studies indicated that the shape and the lipophilicity of the substituents of the aromatic ring affect the activity dramatically, increasing the shape and the lipophilicity of the substituents of the aromatic ring enhances the potency of FXR antagonists. Especially, when the OH at C2 position of the aromatic ring was replaced by the BnO substituent (analog I [R = PhCH₂O]), its activity could be improved to IC₅₀ = 1.1±0.1 μM. Besides, the length of the linker and the tetrazole structure are essential for retaining the activity. This study involved multiple reactions and reactants, such as 1-Bromo-6-chlorohexane (cas: 6294-17-3Name: 1-Bromo-6-chlorohexane).

1-Bromo-6-chlorohexane (cas: 6294-17-3) 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.Name: 1-Bromo-6-chlorohexane

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

A multipronged QSAR approach to predict algal low-toxic-effect concentrations of substituted phenols and anilines was written by Tugcu, Gulcin;Sacan, Melek Turker. And the article was included in Journal of Hazardous Materials in 2018.Safety of 4-Chlororesorcinol The following contents are mentioned in the article:

Environmental risk assessment procedures require acute and chronic toxicity values of hazardous chems. In this respect, the 96-h toxicity bioassays of nitro-, methyl-, methoxy-, chloro-, and nitrile- substituted phenols and anilines to Chlorella vulgaris were performed. Median inhibitory and low-toxic-effect concentrations were reported. Significant correlations between acute and chronic toxicities were found for the chems. in the data set regardless of mode of action. Consequently, linear models employing theor. and empirical descriptors were developed for the prediction of NOEC and IC₂₀. The outcome of the study will be beneficial in the risk assessments of organic chems. and setting water quality standards by the regulators. 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. 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.Safety of 4-Chlororesorcinol

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