Category: 939-99-1

Longwitz, Lars published the artcileOrganocatalytic Chlorination of Alcohols by P(III)/P(V) Redox Cycling, Synthetic Route of 939-99-1, the publication is Journal of Organic Chemistry (2019), 84(12), 7863-7870, database is CAplus and MEDLINE.

A catalytic system for the chlorination of alcs. under Appel conditions was developed. Benzotrichloride was used as a cheap and readily available chlorinating agent in combination with trioctylphosphine as the catalyst and phenylsilane as the terminal reductant. The reaction has several advantages over other variants of the Appel reaction, e.g., no addnl. solvent is required and the phosphine reagent was used only in catalytic amounts In total, 27 different primary, secondary, and tertiary alkyl chlorides were synthesized in yields up to 95%. Under optimized conditions, it was also possible to convert epoxides and an oxetane to the dichlorinated products.

Journal of Organic Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Synthetic Route of 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Nan, Xiang published the artcileDesign, synthesis and evaluation of sulfonylurea-containing 4-phenoxyquinolines as highly selective c-Met kinase inhibitors, COA of Formula: C8H6ClF3, the publication is Bioorganic & Medicinal Chemistry (2019), 27(13), 2801-2812, database is CAplus and MEDLINE.

Deregulation of receptor tyrosine kinase c-Met has been reported in human cancers and is considered as an attractive target for small mol. drug discovery. In this study, a series of 4-phenoxyquinoline derivatives bearing sulfonylurea moiety were designed, synthesized and evaluated for their c-Met kinase inhibition and cytotoxicity against tested four cell lines in vitro. The pharmacol. data indicated that most of the tested compounds showed moderate to significant potency as compared with foretinib, with the most promising compound 13x (c-Met kinase IC₅₀ = 1.98 nM) demonstrated relatively good selectivity vs. 10 other tyrosine kinases and remarkable cytotoxicities against HT460, MKN-45, HT-29 and MDA-MB-231 with IC₅₀ values of 0.055 μM, 0.064 μM, 0.16 μM and 0.49 μM, resp. The preliminary structure activity relationships indicated that a sulfonylurea moiety as linker as well as mono-EGWs (such as R₁ = 4-F) on the terminal Ph rings contributed to the antitumor activity.

Bioorganic & Medicinal Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, COA of Formula: C8H6ClF3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Lu, Nan published the artcileDrug repurposing: Discovery of troxipide analogs as potent antitumor agents, Application of 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is European Journal of Medicinal Chemistry (2020), 112471, database is CAplus and MEDLINE.

Drug repurposing plays a vital role in the discovery of undescribed bioactivities in clin. drugs. Based on drug repurposing strategy, we for the first time reported a novel series of troxipide analogs and then evaluated their antiproliferative activity against MCF-7, PC3, MGC-803, and PC9 cancer cell lines and WPMY-1, most of which showed obvious selectivity toward PC-3 over the other three cancer cell lines and WPMY-1. Compound 5q(I), especially, could effectively inhibit PC3 with an IC₅₀ value of 0.91μM, which exhibited around 53-fold selectivity toward WPMY-1. Data indicated that 5q effectively inhibited the colony formation, suppressed the cell migration, and induced G1/S phase arrest in PC3 cells. Also, compound 5q induced cell apoptosis by activating the two apoptotic signaling pathways in PC3 cells: death receptor-mediated extrinsic pathway and mitochondria-mediated intrinsic pathway. Compound 5q up-regulated the expression of both pro-apoptotic Bax and P53, while down-regulated anti-apoptotic Bcl-2 expression. Besides, compound 5q significantly increased the expression of cleaved caspase 3/9 and cleaved PARP. Therefore, the successful discovery of compound 5q may further validate the feasibility of this theory, which will encourage researchers to reveal undescribed bioactivities in traditional drugs.

European Journal of Medicinal Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Application of 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Guo, Yanghui published the artcileDiscovery and Optimization of Highly Potent and Selective AT₂R Antagonists to Relieve Peripheral Neuropathic Pain, Formula: C8H6ClF3, the publication is ACS Omega (2021), 6(23), 15412-15420, database is CAplus and MEDLINE.

The angiotensin II type 2 receptor (AT₂R) has attracted much attention as a potential target for the relief of neuropathic pain, which represents an area of unmet clin. need. A series of 1,2,3,4-tetrahydroisoquinolines with a benzoxazole side-chain were discovered as potent AT₂R antagonists. Rational optimization resulted in compound 15, which demonstrated both excellent antagonistic activity against AT₂R in vitro and analgesic efficacy in a rat chronic constriction injury model. Its favorable physicochem. properties and oral bioavailability make it a promising therapeutic candidate for neuropathic pain.

ACS Omega published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Formula: C8H6ClF3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Liu, Jian-Li published the artcilePalladium-catalyzed carbonylative synthesis of 3-arylquinolin-2(1H)-ones from benzyl chlorides and o-nitrobenzaldehydes, SDS of cas: 939-99-1, the publication is Molecular Catalysis (2021), 111842, database is CAplus.

A palladium-catalyzed carbonylative cyclization of benzyl chlorides RCH₂Cl (R = Ph, naphthalen-2-yl, pyridin-3-yl, etc.) with o-nitrobenzaldehydes R¹CHO (R¹ = 2-nitrophenyl, 6-nitro-2H-1,3-benzodioxol-5-yl, 4-[methoxy(oxo)methane]-2-nitrophenyl, etc.) has been developed for the synthesis of 3-arylquinolin-2(1H)-ones I (R² = H, Me, F, Cl, methoxycarbonyl; R³ = H, OMe, F, Cl; R²R³ = -(OCH₂O)-). Mo(CO)₆ played a dual role as both a CO surrogate and a reductant in this carbonylative transformation.

Molecular Catalysis published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, SDS of cas: 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Dobinson, Martyn published the artcileIntroduction of stilbene derivatives and cinnamate ester derivatives at the ω-end groups of poly(methyl methacrylate) prepared via RAFT polymerization, Safety of 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is Polymers (Basel, Switzerland) (2020), 12(11), 2449, database is CAplus and MEDLINE.

The capping of “living” poly(Me methacrylate) (PMMA) and “living” polystyrene (PS), both prepared by the RAFT technique, with various olefins was screened using ¹⁹F-NMR spectroscopy. The capping of “living” PMMA with a labeled stilbene was as high as 63% and with certain cinnamate esters was essentially quant., but the capping of “living” polystyrene with all the olefins investigated was generally poor.

Polymers (Basel, Switzerland) published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Safety of 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Kosmalski, Tomasz published the artcileThe Oxime Ethers with Heterocyclic, Alicyclic and Aromatic Moiety as Potential Anti-Cancer Agents, HPLC of Formula: 939-99-1, the publication is Molecules (2022), 27(4), 1374, database is CAplus and MEDLINE.

Chemotherapy is one of the most commonly used methods of cancer disease treatment. Due to the acquisition of drug resistance and the possibility of cancer recurrence, there is an urgent need to search for new mols. that would be more effective in destroying cancer cells. In this study, 1-(benzofuran-2-yl)ethan-1-one oxime and 26 oxime ethers containing heterocyclic, alicyclic or aromatic moiety were screened for their cytotoxicity against HeLa cancer cell line. The most promising derivatives with potential antitumor activity were 2-(cyclohexylideneaminoxy)acetic acid (18) and (E)-acetophenone O-2-morpholinoethyl oxime (22), which reduced the viability of HeLa cells below 20% of control at concentrations of 100-250 μg/mL. Some oxime ethers, namely thiazole and benzothiophene derivatives (24-27), also reduced HeLa cell viability at similar concentrations but with lower efficiency. Further cytotoxicity evaluation confirmed the specific toxicity of (E)-acetophenone O-2-morpholinoethyl oxime (22) against A-549, Caco-2, and HeLa cancer cells, with an EC₅₀ around 7 μg/mL (30 μM). The most potent and specific compound was (E)-1-(benzothiophene-2-yl)ethanone O-4-methoxybenzyl oxime (27), which was selective for Caco-2 (with EC₅₀ 116 μg/mL) and HeLa (with EC₅₀ 28 μg/mL) cells. Considering the bioavailability parameters, the tested derivatives meet the criteria for good absorption and permeation. The presented results allow us to conclude that oxime ethers deserve more scientific attention and further research on their chemotherapeutic activity.

Molecules published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, HPLC of Formula: 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Ballari, Maria Sol published the artcileOne-pot sequential synthesis and antifungal activity of 2-(benzylsulfonyl)benzothiazole derivatives, Category: chlorides-buliding-blocks, the publication is RSC Advances (2019), 9(50), 29405-29413, database is CAplus.

A series of 2-(benzylsulfonyl)benzothiazoles I [R = H, 4-F, 2-I, etc.; X = S] was synthesized by an environmentally friendly method, using water as reaction medium via one-pot and two-step procedure, starting from 2-mercaptobenzothiazole and benzyl halides. Few compounds of 2-(benzylsulfonyl)benzoxazoles I [X = O] were successfully synthesized via oxidation of 2-(benzoxazolyl)benzylsulfides. The potential fungicides were tested against a panel of phytopathogenic fungi, with many of them showing a significant improvement compared to the non-oxidized analogs and the com. antifungal Captan. The new derivatives I [R = 4-Me, 2-Cl; X = S] presented remarkable properties, being able to inhibit the growth of two resistant molds (A. fumigatus and A. ustus). Compounds I [R = 4-Me, 2-Cl; X = S] could be classified as broad-spectrum fungicides, emerging as possible candidates for the control of these molds, which had neg. impact in food production

RSC Advances published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Khan, Bilal Ahmad published the artcileDesign, synthesis, crystal structures, computational studies, in vitro and in silico monoamine oxidase-A&B inhibitory activity of two novel S-benzyl dithiocarbamates, Computed Properties of 939-99-1, the publication is Journal of Molecular Structure (2022), 133317, database is CAplus.

Two trifluoromethyl containing S-benzyl dithiocarbamates I and II have been successfully synthesized and their structures were evaluated by means of ¹H- and ¹³C-NMR spectroscopy, FT-IR spectroscopy, and single-crystal XRD anal. Both S-benzyl dithiocarbamates differ between them by the position of the trifluoromethyl group in the aromatic ring. The great mol. similarity is reflected in similar crystal structures with similar intermol. interactions. Interestingly, the low temperature used in the XRD anal. showed that compound I is constituted by three conformers while compound II shows two independent conformers in the asym. unit. Considering that each conformer is organized in independent mol. sheets, compound I has a longer c parameter compared to compound II. The position of the trifluoromethyl group also has implications in the chem. behavior which is demonstrated in the HOMO-LUMO orbitals computed by the B3LYP method with 3-21G* basis set. Bioassay outcome displays that both compounds I and II exhibit excellent inhibition potential against monoamine oxidases (MAO-A and MAO-B) with p-CF₃ S-benzyl dithiocarbamate I (IC₅₀=16.02 ± 5.135μg/mL, 1.284 ± 0.66μg/mL) being more efficient than m-CF₃ S-benzyl dithiocarbamate II (IC₅₀=18.37± 4.030μM, 3.164 ± 0.456μM) against MAO-A and MAO-B, resp. The results of binding energy values computed via docking studies showed a remarkable agreement with in-vitro results.

Journal of Molecular Structure published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Computed Properties of 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Genc, Sertac published the artcileIridium-Catalyzed Alkylation of Secondary Alcohols with Primary Alcohols: A Route to Access Branched Ketones and Alcohols, Quality Control of 939-99-1, the publication is Journal of Organic Chemistry (2020), 85(14), 9139-9152, database is CAplus and MEDLINE.

Under borrowing hydrogen conditions, NHC-iridium(I) catalyzed the direct or one-pot sequential synthesis of α,α-disubstituted ketones RCOCH(CH₂R¹)CH₂R² [R = Ph, 2-naphthyl, 4-MeOC₆H₄, etc.; R¹ = Ph, 1-naphthyl, n-heptyl, etc.; R² = Ph, 1-naphthyl, 4-MeOC₆H₄, etc.] via the alkylation of secondary alcs. with primary alcs. was reported. Notably, the present approach provides a new method for the facile synthesis of α,α-disubstituted ketones and featured with several characteristics, including a broad substrate scope, using easy-to-handle alcs. as starting materials, and performing the reactions under aerobic conditions. Moreover, the selective one-pot formation of β,β-disubstituted alcs. PhCH(OH)CH(CH₂R³)CH₂R⁴ [R³ = Ph, n-heptyl; R⁴ = Ph, 4-MeC₆H₄, 4-BrC₆H₄] was achieved by the addition of an external hydrogen source to the reaction mixture

Journal of Organic Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Quality Control of 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics