Tag: 100-200

Base mediated direct C-H amination for pyrimidines synthesis from amidines and cinnamaldehydes using oxygen as green oxidants was written by Guo, Wei. And the article was included in Chinese Chemical Letters in 2016.Synthetic Route of C7H8Cl2N2 This article mentions the following:

A direct metal-free C-H amination reaction of cinnamaldehydes and amidines to realize the synthesis of polysubstituted pyrimidines was developed in the presence of base. This greener synthetic methodol. provides a straightforward approach to the synthesis of a variety of pyrimidine derivatives under mild reaction conditions using oxygen as the sole oxidant. In the experiment, the researchers used many compounds, for example, 2-Chloro-benzamidine hydrochloride (cas: 18637-02-0Synthetic Route of C7H8Cl2N2).

2-Chloro-benzamidine hydrochloride (cas: 18637-02-0) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Synthetic Route of C7H8Cl2N2

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

Pentacoordinated spirophosphoranide as Lewis base to activate CO₂ combining with alkyl halide under mild conditions was written by Wang, Di;Guo, Shanqi;Wang, Yanyan;Liu, Qiangqiang;Sun, Can;Guo, Yanchun;Zhao, Yufen;Cao, Shuxia. And the article was included in Tetrahedron in 2022.Synthetic Route of C8H9Cl This article mentions the following:

A transition metal-free method to activate CO₂ by pentacoordinated spirophosphoranide that acts as Lewis base at room temperature and under atm. pressure is reported. The reaction of hydrospirophosphorane, CO₂ and alkyl halide could perform smoothly under mild conditions, and the product with a pentacoordinated P-C(O)-O-C unit could be obtained. The stereochem. mechanism was proposed by ³¹P NMR tracking experiment, ESI-MS/MS tracking experiment, X-Ray anal. and DFT calculations The reaction was presumed to proceed via a spoirophosphoranecarboxylate anion intermediate, and the phosphorus configuration was maintained throughout the reaction. The results show that pentacoordinated hydrospirophosphorane is a potential skeleton to capture and activate CO₂, and can be used to establish a novel utility of CO₂ in organic synthesis. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Synthetic Route of C8H9Cl).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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. 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.Synthetic Route of C8H9Cl

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

Recyclable palladium-catalyzed cyclocarbonylation between benzyl chlorides and salicylic aldehydes towards coumarins was written by Zhou, Yan;Zhou, Zebiao;Liu, Siqi;Cai, Mingzhong. And the article was included in Molecular Catalysis in 2022.Recommanded Product: 1-(Chloromethyl)-3-methylbenzene This article mentions the following:

A novel and practical route to coumarin derivatives was developed via the heterogeneous Pd-catalyzed carbonylative reaction and subsequent intramol. condensation process starting from com. easily available benzyl chlorides and salicylic aldehydes. Reactions were performed in the existence of 2 mol% of an SBA-15-immobilized bidentate phosphine palladium complex [SBA-15-P,P-PdCl2] in dioxane at 110°C with Et₃N as base under 10 bar of CO to afford a wide range of coumarin derivatives mostly with good to high yields. Importantly, this new heterogenized palladium complex was easy to recover via filtration of the reaction mixture, and was recyclable up to 8 times without apparent drop in its catalytic performance. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Recommanded Product: 1-(Chloromethyl)-3-methylbenzene).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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. 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.Recommanded Product: 1-(Chloromethyl)-3-methylbenzene

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

Site-Selective Carbene-Induced C-H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes was written by Liao, Kuangbiao;Liu, Wenbin;Niemeyer, Zachary L.;Ren, Zhi;Bacsa, John;Musaev, Djamaladdin G.;Sigman, Mathew S.;Davies, Huw M. L.. And the article was included in ACS Catalysis in 2018.Reference of 7476-66-6 This article mentions the following:

Three types of dirhodium tetrakis(triarylcyclopropanecarboxylate) complexes were generated and shown to adopt disparate high-symmetry structures. These catalysts were evaluated in the intermol. C-H functionalization of an array of terminally substituted n-alkanes and displayed various site-selectivity as a function of catalyst and substrate structure, which could be correlated through quant. relationships. In the experiment, the researchers used many compounds, for example, Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6Reference of 7476-66-6).

Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Reference of 7476-66-6

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

Benzo[f]naphthyridones: a new family of topical antibacterial agents active on multi-resistant Gram-positive pathogens was written by Tabart, Michel;Picaut, Guy;Lavergne, Marc;Wentzler, Sylvie;Malleron, Jean-Luc;Dutka-Malen, Sylvie;Berthaud, Nadine. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2003.Computed Properties of C6H4ClF2N This article mentions the following:

The synthesis and antibacterial activity of benzo[f][1,7]naphthyridones, e.g., I, are reported. These compounds are potent antibacterial agents with a Gram-pos. spectrum of activity. They are active against multi-resistant cocci, especially Staphylococcus aureus strains. Their physico-chem. and biol. properties make them particularly suitable for topical antibacterial use. In the experiment, the researchers used many compounds, for example, 3-Chloro-2,4-difluoroaniline (cas: 2613-34-5Computed Properties of C6H4ClF2N).

3-Chloro-2,4-difluoroaniline (cas: 2613-34-5) 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. 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).Computed Properties of C6H4ClF2N

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

Base-Mediated Three-Component Tandem Reactions for the Synthesis of Multisubstituted Pyrimidines was written by Liu, Dongqing;Guo, Wei;Wu, Wanqing;Jiang, Huanfeng. And the article was included in Journal of Organic Chemistry in 2017.Quality Control of 2-Chloro-benzamidine hydrochloride This article mentions the following:

A base-mediated three-component tandem reaction for the synthesis of multi-substituted pyrimidines from amidines, aryl alkynes, and aldehydes in a one-pot manner has been developed. Advantages of this transformation include being transition-metal-free, high efficiency, available starting materials, and being environmentally friendly. In the experiment, the researchers used many compounds, for example, 2-Chloro-benzamidine hydrochloride (cas: 18637-02-0Quality Control of 2-Chloro-benzamidine hydrochloride).

2-Chloro-benzamidine hydrochloride (cas: 18637-02-0) 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.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.Quality Control of 2-Chloro-benzamidine hydrochloride

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

Simplifying Nickel(0) Catalysis: An Air-Stable Nickel Precatalyst for the Internally Selective Benzylation of Terminal Alkenes was written by Standley, Eric A.;Jamison, Timothy F.. And the article was included in Journal of the American Chemical Society in 2013.Related Products of 697-73-4 This article mentions the following:

The synthesis and characterization of the air-stable nickel(II) complex trans-(PCy₂Ph)₂Ni(o-tolyl)Cl is described in conjunction with an investigation of its use for the Mizoroki-Heck-type, room temperature, internally selective coupling of substituted benzyl chlorides with terminal alkenes. This reaction, which employs a terminal alkene as an alkenylmetal equivalent, provides rapid, convergent access to substituted allylbenzene derivatives in high yield and with regioselectivity greater than 95:5 in nearly all cases. The reaction is operationally simple, can be carried out on the benchtop with no purification or degassing of solvents or reagents, and requires no exclusion of air or water during setup. Synthesis of the precatalyst is accomplished through a straightforward procedure that employs inexpensive, com. available reagents, requires no purification steps, and proceeds in high yield. In the experiment, the researchers used many compounds, for example, 2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4Related Products of 697-73-4).

2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4) 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. 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.Related Products of 697-73-4

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

Identification of Novel d-Amino Acid Oxidase Inhibitors by in Silico Screening and Their Functional Characterization in Vitro was written by Katane, Masumi;Osaka, Naoko;Matsuda, Satsuki;Maeda, Kazuhiro;Kawata, Tomonori;Saitoh, Yasuaki;Sekine, Masae;Furuchi, Takemitsu;Doi, Issei;Hirono, Shuichi;Homma, Hiroshi. And the article was included in Journal of Medicinal Chemistry in 2013.Application In Synthesis of 3-Chloro-2,6-difluorobenzoic acid This article mentions the following:

D-Amino acid oxidase (DAO) is a degradative enzyme that is stereospecific for d-amino acids, including d-serine and d-alanine, which are potential coagonists of the N-methyl-d-aspartate (NMDA) receptor. Dysfunction of NMDA receptor-mediated neurotransmission has been implicated in the onset of various mental disorders such as schizophrenia. Hence, a DAO inhibitor that augments the brain levels of d-serine and/or d-alanine and thereby activates NMDA receptor function is expected to be an antipsychotic drug, for instance, in the treatment of schizophrenia. In the search for potent DAO inhibitor(s), a large number of compounds were screened in silico, and several compounds were estimated as candidates. These compounds were then characterized and evaluated as novel DAO inhibitors in vitro. The results reported in this study indicate that some of these compounds are possible lead compounds for the development of a clin. useful DAO inhibitor and have the potential to serve as active site probes to elucidate the structure-function relationships of DAO. In the experiment, the researchers used many compounds, for example, 3-Chloro-2,6-difluorobenzoic acid (cas: 225104-76-7Application In Synthesis of 3-Chloro-2,6-difluorobenzoic acid).

3-Chloro-2,6-difluorobenzoic acid (cas: 225104-76-7) 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. 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.Application In Synthesis of 3-Chloro-2,6-difluorobenzoic acid

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

3-Substituted thiophenes. III. Antihistaminics of the N-3-thenylethylenediamine series was written by Campaigne, E.;LeSuer, William M.. And the article was included in Journal of the American Chemical Society in 1949.Reference of 36157-41-2 This article mentions the following:

2-Chloro-3-methylthiophene (I) (66 g.) in 150 ml. CCl₄, treated with 88.5 g. (CH₂CO)₂NBr (II) and 1 g. Bz₂O₂ and refluxed 8 hrs., gives 75% 2-chloro-3-thenyl bromide, b₁ 88°, n²²_D 1.6119; the hexamethylenetetramine salt (m. 165°, 84%) on distillation with steam yields 25% 2-chloro-3-thenaldehyde, b_1-2 100-2°, m. 25°, n²⁰_D 1.5908 (2,4-dinitrophenylhydrazone, orange, m. 214°); oxidation with Ag₂O in ether gives 75% 2-chloro-3-thenoic acid, m. 163°. 2-Bromo-3-methylthiophene with II yields 65% 2-bromo-3-thenyl bromide, b₇ 113°, n²⁰_D 1.6241; the hexamethylenetetramine salt (m. 171-2°, 75%) on steam distillation yields 15% 2-bromo-3-thenaldehyde, m. 34° (2,4-dinitrophenylhydrazone, orange, m. 230.5°); 2-bromo-3-thenoic acid m. 178-9°, 78%. 3-Methylthiophene (296 g.), added (3 hrs.) to 810 g. SO₂Cl₂ (total refluxing 5 hrs.), gives 8% I and 63% 2,5-di-Cl derivative (III), b₁₁ 65°, n²⁰_D 1.5560. III and II give 69% 2,5-dichloro-3-thenyl bromide, b₄ 104.5-6°, n²⁰_D 1.6177; the hexamethylenetetramine salt [m. 178-80° (decomposition), 90%] yields a crude aldehyde, which gives 11.4% 2,5-dichloro-3-thenoic acid, m. 146.5-7.5°. NaNH₂ (3.12 g.) in 50 ml. PhMe, treated dropwise with 12 g. 2-(dimethylaminoethylamino)pyridine, refluxed 2 hrs., treated dropwise at 50° with 21 g. 3-thenyl bromide, refluxed 2 hrs., poured into 150 ml. H₂O, the PhMe layer extracted with 5% HCl, and the HCl layer saturated with K₂CO₃ and extracted with ether, gives 31.4% 2-[3-thenyl-(2-dimethylaminoethyl)amino]pyridine (IV), yellow, m. 169-72°, n²⁰_D 1.5915. (Halo-3-thenyl) derivatives of IV: 2-Cl b₁ 156-8°, n²⁰_D 1.5950, 28%; 2-Br b₁ 177-9°, n²⁰_D 1.6590, 20%; 2,5-di-Cl b₁ 179-81°, n²⁰_D 1.5968, 38%. IV (106 g.) in 500 ml. iso-PrOH and 34 ml. concentrated HCl give 86% of the HCl salt, m. 169.5-70°. In the experiment, the researchers used many compounds, for example, 2,5-Dichlorothiophene-3-carboxylic acid (cas: 36157-41-2Reference of 36157-41-2).

2,5-Dichlorothiophene-3-carboxylic acid (cas: 36157-41-2) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Reference of 36157-41-2

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

Facile Synthesis, Crystal Structure, DFT Calculation and Biological Activities of 4-(2-fluorophenyl)-3-(3-methoxybenzyl)-1H-1,2,4-triazol-5 (4H)-one (5) was written by Saleem, Muhammad;Rafiq, Muhammad;Jeong, Yeon Ki;Cho, Dae Won;Kim, Chong-Hyeak;Seo, Sung-Yum;Choi, Chang-Shik;Hong, Seong-Karp;Lee, Ki Hwan. And the article was included in Medicinal Chemistry (Sharjah, United Arab Emirates) in 2018.Reference of 6834-42-0 This article mentions the following:

The synthesis, characterization and exploration of biol. profile of 4-(2-fluorophenyl)-3-(3-methoxybenzyl)-1H-1,2,4-triazole-5(4H)-one I was reported. The tautomeric interconversion of the compound I was observed by the single crystal XRD and DFT anal. N-(2-fluorophenyl)-2-[2-(3-methoxyphenyl)acetyl]hydrazine carboxamide was synthesized by the condensation of 2-(3-methoxyphenyl)acetohydrazide with 1-fluoro-2-isocyanatobenzene. The dehydrocyclization of N-(2-fluorophenyl)-2-[2-(3-methoxyphenyl)acetyl]hydrazine carboxamide yielded target compound I by refluxing in 2 N aqueous sodium hydroxide solutions The target compound I was characterized by FTIR, ¹H-NMR, ¹³C-NMR, single crystal X-ray diffraction anal. and DFT calculation The enzymic assay measurements were carried out by using a microplate reader (OPTI Max, Tunable Microplate Reader; Wavelength range: 340-850nm; for 96-well plates) while DFT calculation was performed by Gaussian 09 package. The XRD result and DFT calculations showed that compound I predominantly existed in thione conformation and crystallized in the triclinic system of P-1 space group. Furthermore, for the practical applicability of synthesized compound I, the in-vitro acetylcholinesterase as well as α-glucosidase inhibition activities were performed and found moderate enzyme inhibition potential comparable with that of reference inhibitors. This study was helpful for future design and development of potent enzyme inhibitor to control Alzheimer’s as well as diabetic disease. The DFT and single crystal XRD anal. data was helpful for understanding the mechanism of drug binding and its mode of action. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Reference of 6834-42-0).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Reference of 6834-42-0

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