Tag: M.W=200-250

Zhang, Yong-Kang published the artcileDiscovery of an orally bioavailable isoxazoline benzoxaborole (AN8030) as a long acting animal ectoparasiticide, Application of 1,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene, the publication is Bioorganic & Medicinal Chemistry Letters (2015), 25(23), 5589-5593, database is CAplus and MEDLINE.

A novel series of isoxazoline benzoxaborole small mols. was designed and synthesized for a structure-activity relationship (SAR) investigation to assess the ectoparasiticide activity against ticks and fleas. The study identified an orally bioavailable mol., (S)-3,3-dimethyl-5-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)benzo[c][1,2]oxaborol-1(3H)-ol (38, AN8030), which was long lasting in dogs (t_1/2 = 22 days). Compound 38 demonstrated 97.6% therapeutic effectiveness within 24 h of treatment, with residual efficacy of 95.3% against American dog ticks (Dermacentor variabilis) on day 30% and 100% against cat fleas (Ctenocephalides felis) on day 32 after a single oral dose at 50 mg/kg in dogs.

Bioorganic & Medicinal Chemistry Letters published new progress about 864725-22-4. 864725-22-4 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Alkenyl,Benzene, name is 1,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene, and the molecular formula is C10H10O2, Application of 1,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene.

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

Zhang, Yong-Kang published the artcileNovel synthesis of isoxazoline indolizine amides for potential application to tropical diseases, Related Products of chlorides-buliding-blocks, the publication is Tetrahedron Letters (2014), 55(11), 1936-1938, database is CAplus.

Synthetically challenging isoxazoline indolizine amide compounds were designed and prepared for potential application to tropical diseases. Indolizine core structures were synthesized strategically as common intermediates for efficient derivatization. The chem. for the syntheses of 8-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)indolizine-5-carboxamide and 5-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-indolizine-8-carboxamide is described in this Letter.

Tetrahedron Letters published new progress about 864725-22-4. 864725-22-4 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Alkenyl,Benzene, name is 1,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene, and the molecular formula is C44H28ClFeN4, Related Products of chlorides-buliding-blocks.

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

Gosset, Antoine published the artcileEcotoxicological risk assessment of micropollutants from treated urban wastewater effluents for watercourses at a territorial scale: Application and comparison of two approaches, Recommanded Product: Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, the publication is International Journal of Hygiene and Environmental Health (2020), 113437, database is CAplus and MEDLINE.

In most cases, urban Wastewater Treatment Plants (WWTP) only partially abate pollutants occurring in the influent. Treated effluents can thus contain a complex mixture of ecotoxic pollutants, such as heavy metals, detergents, disinfectants, plasticizers, pharmaceuticals residues or pesticides. In this context, Ecotoxicol. Risk Assessment (ERA) provide essential decision-making tools to public authorities for establishing environmental policies and conducting territorial planning. The present work aims to develop a territorial-scale ERA methodol. using two complementary approaches based on a Risk Quotient (RQ) calculation: (1) the first, based on the risk linked to each individual pollutant (single substances ERA); (2) the second, considering all pollutants present, and the “cocktail effect” (mixture ERA). This research was performed at 33 urban WWTPs of in a highly urbanized part of France (Lyon area). Initial min., median and maximum pollutant concentrations in treated effluents were obtained from a literature review of physico-chem. anal. studies, to reconstitute “typical” effluents. The classical approach (single substances ERA) identified the riskiest substances (e.g. endocrine disruptors, as the Estrone with RQ up to 593.75), and showed the risks for each WWTP. The mixture ERA approach revealed new risks, which were not highlighted in the classical ERA approach, thus increasing the number of WWTPs identified as at risk. This study shows the importance of accounting for the cocktail effect, which is not considered in current regulatory decisions. Finally, this methodol. allowed us to identify the riskiest situations (often medium sized WWTPs, releasing into small streams), that could worsen in the context of climate change.

International Journal of Hygiene and Environmental Health published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, Recommanded Product: Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate.

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

Belyakova, Z. V. published the artcileEffect of catalysts on the reaction of allyl esters with hydrosilanes, Name: Dichloro(methyl)(octyl)silane, the publication is Russian Journal of General Chemistry (2010), 80(4), 728-733, database is CAplus.

Hydrosilylation of allyl esters XOCH₂CH:CH₂ (X = MeCO, CF₃CO, C₃F₇CO, CH₂:C(Me)CO), PhOCH₂CH:CH₂ and ClCH₂CH:CH₂ with hydrosilanes HSiCl₃, HSi(OEt)₃ and HSiMeCl₂ in the presence of Speier’s catalyst, Speier’s catalyst with additives, and of various Ni compounds was studied. The catalytic hydrosilylation reaction in the presence of the Speier catalyst is accompanied by reductions Additives to the Speier catalyst (vinyltriethoxysilane, allyl acetate and trifluoroacetate) suppress the reduction reaction considerably. E.g., hydrosilylation of allyl methacrylate with HSiCl₃ in the presence of Speier’s catalyst gave CH₂:C(Me)CO₂CH₂CH₂CH₂SiCl₃ in 67% yield and a ratio of 5.55 of the addition product to the reduction product. The same reaction in the presence of Speier’s catalyst and vinyltriethoxysilane afforded CH₂:C(Me)CO₂CH₂CH₂CH₂SiCl₃ in 87% yield and a ratio of 114.1 of the addition product to the reduction product. In the presence of the studied Ni compounds mainly reduction and isomerization reactions of allyl Ph ether occurred. The best Ni catalysts for hydrosilylation were mixtures of NiCl₂ or Ni(acac)₂ with phosphine oxides. In contrast to allyl Ph ether, the hydrosilylation of simple olefins proceeds easier. E.g., hydrosilylation of 1-heptene with HSiCl₃ in the presence of NiCl₂ and (octyl)₃P:O gives the hydrosilylation product trichloroheptylsilane in 94% yield in the reaction mixture

Russian Journal of General Chemistry published new progress about 14799-93-0. 14799-93-0 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(methyl)(octyl)silane, and the molecular formula is C9H20Cl2Si, Name: Dichloro(methyl)(octyl)silane.

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

Davies, W. published the artcilePolymerization of thiophene derivatives. V. The self-condensation of 4,5- and 6,7-benzothianaphthene 1,1-dioxides. A new route to 1-(1-naphthyl)- and 4-(2-naphthyl)phenanthrene, Related Products of chlorides-buliding-blocks, the publication is Journal of the Chemical Society (1956), 2609-14, database is CAplus.

cf. C.A. 50, 1752d. 2-(1-Naphthyl)ethanol, b_0.2 130-2°, with PBr₃ gave 2-(1-naphthylethyl) bromide (I). I (98 g.) was refluxed and stirred 15 hrs. with 170 g. of Na₂SO₃.7H₂O to give 81 g. of Na 2-(1-naphthyl)ethanesulfonate (II). II stirred 30 min. with 66 g. PCl₅ at room temperature, the mixture warmed 30 min. on a steam bath and extracted with Et₂O, and the extract cooled precipitated gave 48 g. 2-(1-naphthyl)ethanesulfonyl chloride (III), m. 48-8.5°; anilide, m. 133.5-34°; amide, m. 172.5-73°. III (40 g.) in 75 ml. PhNO₂ was added to 24 g. powd. AlCl₃ in 200 ml. PhNO₂, the mixture kept 1 hr. at room temperature and 2 hrs. at 70°, the complex decomposed with dilute HCl, the solvent steam distilled, and the residue extracted with C₆H₆ gave 14.8 g. 2,3-dihydro-4,5-benzothianaphthene 1,1-dioxide (IV), m. 178-8.5°. IV (6.0 g.) refluxed 8 hrs. with 4.8 g. N-bromosuccinimide and 0.1 g. Bz₂O₂ in 150 ml. CCl₄, the solvent removed, and the residue dissolved in hot C₆H₆, filtered, and chromatographed on Al₂O₃ gave 2.7 g. 4,5-benzothianaphthene 1,1-dioxide (V), m. 136-7° or 141-2° with evolution of SO₂. V was reduced with LiAlH₄ to give 2,3-dihydrothianaphthene (VI), m. 86.5-87°. VI refluxed with chloranil in xylene 6 hrs. and the mixture cooled, filtered, diluted with C₆H₆, and chromatographed gave 4,5-benzothianaphthene. V (2.5 g.) in 50 ml. xylene was refluxed until evolution of SO₂ ceased. Evaporation gave 1.6 g. 10,11-dihydro-9-thia-5,6-benzonaphtho(1′,2′,3,4)fluorene 9,9-dioxide (VII), m. 226°. VII refluxed 10 min. in 50% aqueous KOH in (HOCH₂CH₂)₂O and the mixture diluted with H₂O and extracted with Et₂O gave 1-(1-naphthyl)phenanthrene, m. and mixed m.p. 115-16°. By the same sequence of reactions, the following compounds were prepared from 2-(2-naphthyl)ethanol, m. 66°: Na 2-(2-naphthyl)ethanesulfonate; 2,2′-naphthylethanesulfonyl chloride, m. 66-6.5° (amide, m. 200-200.5°); 2,3-dihydro-6,7-benzothianaphthene 1,1-dioxide, m. 187.5-88°; 6,7-benzothianaphthene 1,1-dioxide, m. 181-2°or 194-5° (decomposition); 10,11-dihydro-9-thia-7,8-benzonaphtho(2′,1′-3,4)fluorene 9,9-dioxide, m. 166-7°; and 4-(2-naphthyl)phenanthrene, m. 105-6°. 6-Tetralinsulfonyl chloride, m. 57-8°, was reduced with Zn and H₂SO₄ to 6-mercaptotetralin (VIII), b₃₅ 161-2°. VIII added to still-reacting Na in EtOH, followed by chloroacetal and NaBr, the mixture refluxed 6 hrs., the solution extracted with 2% aqueous NaOH, then Et₂O, the Et₂O extract distilled gave (6-tetralylthio)acetaldehyde di-Et acetal (IX), b_0.5 160-1°. Slow addition of IX to mixed P₂O₅ and H₃PO₄ gave a yellow oil which was distilled to give a mixture of tetrahydrobenzothianaphthenes, b_0.3 119-21°. Tetralin (50 g.) stirred 1 hr. into ClSO₃H at -5° warmed to room temperature, the mixture precipitated with ice and extraction with CCl₄, and the extract evaporated gave a mixture of 68 g. of 5- and 6-tetralinsulfonyl chlorides; this product (20 g.) added to 14.5 g. ClCH₂CO₂H on 12 g. NaOH in 250 ml. H₂O and the mixture heated 1 hr. on a water bath, cooled, and acidified precipitated 25 g. of an acid mixture (X). X (20 g.) in 80 ml. 5% KOH was added to 40 ml. 40% KOH. The acidified precipitate gave 9.2 g. (6-tetralylthio)acetic acid, m. 78.5-79. Acidification of the filtrate gave 9.0 g. of (5-tetralylthio)acetic acid, m. 133-4°.

Journal of the Chemical Society published new progress about 61551-49-3. 61551-49-3 belongs to chlorides-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 5,6,7,8-Tetrahydronaphthalene-2-sulfonyl chloride, and the molecular formula is C10H11ClO2S, Related Products of chlorides-buliding-blocks.

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

Chantler, Thomas published the artcileProximity effects in the electron impact mass spectra of 2-substituted benzazoles, SDS of cas: 51656-68-9, the publication is International Journal of Mass Spectrometry (2004), 236(1-3), 65-80, database is CAplus.

The 70 eV electron impact mass spectra of a wide range of 2-substituted benzazoles are reported and discussed. Particular attention is paid to the mechanistic significance and anal. utility of [M-H]⁺ and [M-X]⁺ signals in the spectra of benzazoles in which the 2-substituent contains a terminal aryl group with one or more substituents, X. Loss of H^• or X^• occurs preferentially from an ortho-position from ionized 2-benzylbenzimidazoles, 2-phenethylbenzimidazoles, 2-styrylbenzimidazoles, 2-styrylbenzoxazoles and 2-styrylbenzothiazoles. In the three styrylbenzazole series, the [M-H]⁺ and/or [M-X]⁺ signals dominate the spectra. This unusually facile loss of H^• or X^• may be attributed to a proximity effect, in which cyclization of the ionized mol. is followed by elimination of an ortho-substituent to give an exceptionally stable polycyclic ion. Formation of a new five- or six-membered ring by the proximity effect occurs rapidly; cyclization to a seven-membered ring takes place rather less readily; but formation of a ring with only four atoms or more than seven atoms is not observed to a significant extent. The proximity effect competes effectively with loss of a Me radical by simple cleavage of an Et, iso-Pr and even a t-Bu group in the pendant aromatic ring of ionized 2-(4-alkylstyryl)benzazoles.

International Journal of Mass Spectrometry published new progress about 51656-68-9. 51656-68-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene, name is 3-(2,6-Dichlorophenyl)propanoic acid, and the molecular formula is C9H8Cl2O2, SDS of cas: 51656-68-9.

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

Florvall, Lennart published the artcilePotential neuroleptic agents. 2. Synthesis and dopamine blocking activity of some new 2,6-dimethoxybenzamide derivatives, COA of Formula: C9H9ClO4, the publication is Acta Pharmaceutica Suecica (1983), 20(5), 365-70, database is CAplus and MEDLINE.

A series of 14 novel 2,6-dimethoxybenzamides related to the parent drug (S)-(-)-3-bromo-2,6-dimethoxy-[(1-ethyl-2-pyrrolidinyl)methyl]benzamide, were synthesized by chlorination and amination of the corresponding dimethoxybenzaldehydes, and were evaluated for the ability to block the apomorphine syndrome in rats. Four of the compounds, dimethoxybenzamides I (R = R¹ = Cl, Br; R = Br, R¹ = H) and II, were potent but the activity was lower than that of the parent compound None of the new amides showed any notable separation between apomorphine-induced hyperactivity and stereotypes.

Acta Pharmaceutica Suecica published new progress about 36335-47-4. 36335-47-4 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Ether, name is 3-Chloro-2,6-dimethoxybenzoic acid, and the molecular formula is C9H9ClO4, COA of Formula: C9H9ClO4.

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

Lin, Xi published the artcileEffects of dietary anaplerotic and ketogenic energy sources on renal fatty acid oxidation induced by clofibrate in suckling neonatal pigs, Computed Properties of 637-07-0, the publication is International Journal of Molecular Sciences (2020), 21(3), 726, database is CAplus and MEDLINE.

Maintaining an active fatty acid metabolism is important for renal growth, development, and health. We evaluated the effects of anaplerotic and ketogenic energy sources on fatty acid oxidation during stimulation with clofibrate, a pharmacol. peroxisome proliferator-activated receptor α (PPARα) agonist. Suckling newborn pigs (n = 72) were assigned into 8 dietary treatments following a 2 x 4 factorial design: ± clofibrate (0.35%) and diets containing 5% of either (1) glycerol-succinate (GlySuc), (2) tri-valerate (TriC5), (3) tri-hexanoate (TriC6), or (4) tri-2-methylpentanoate (Tri2MPA). Pigs were housed individually and fed the iso-caloric milk replacer diets for 5 d. Renal fatty acid oxidation was measured in vitro in fresh tissue homogenates using [1-14C]-labeled palmitic acid. The oxidation was 30% greater in pig received clofibrate and 25% greater (p < 0.05) in pigs fed the TriC6 diet compared to those fed diets with GlySuc, TriC5, and Tri2MPA. Addition of carnitine also stimulated the oxidation by twofold (p < 0.05). The effects of TriC6 and carnitine on palmitic acid oxidation were not altered by clofibrate stimulation. However, renal fatty acid composition was altered by clofibrate and Tri2MPA. In conclusion, modification of anaplerosis or ketogenesis via dietary substrates had no influence on in vitro renal palmitic acid oxidation induced by PPARα activation.

International Journal of Molecular Sciences published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, Computed Properties of 637-07-0.

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

Pattison, Graham published the artcileEnantioselective Rhodium-catalyzed addition of arylboronic acids to alkenylheteroarenes, Synthetic Route of 480438-56-0, the publication is Journal of the American Chemical Society (2010), 132(41), 14373-14375, database is CAplus and MEDLINE.

In the presence of a rhodium complex containing a newly developed chiral diene ligand, alkenes activated by a range of π-deficient or π-excessive heteroarenes engage in highly enantioselective conjugate additions with various arylboronic acids.

Journal of the American Chemical Society published new progress about 480438-56-0. 480438-56-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic acid and ester, name is 3-Chloro-4-isopropoxyphenylboronic acid, and the molecular formula is C9H12BClO3, Synthetic Route of 480438-56-0.

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

Millet, Antoine published the artcileDiscovery and Optimization of N-(4-(3-Aminophenyl)thiazol-2-yl)acetamide as a Novel Scaffold Active against Sensitive and Resistant Cancer Cells, COA of Formula: C9H5ClO4S, the publication is Journal of Medicinal Chemistry (2016), 59(18), 8276-8292, database is CAplus and MEDLINE.

Cancer is the second cause of deaths worldwide and is forecast to affect more that 22 million people in 2020. Despite dramatic improvement in its care over the last two decades, the treatment of resistant forms of cancer is still an unmet challenge. Thus, innovative and efficient treatments are still needed. In this context, the authors report herein the synthesis and evaluation of a new class of bioactive mols. belonging to the N-(4-(3-aminophenyl)thiazol-2-yl)acetamide family. Structure-activity relationships could be driven and resulted in the discovery of lead compound I.. The latter display high in vitro potency against both sensitive and resistant cancer cell lines on three models: melanoma, pancreatic cancer, and chronic myeloid leukemia (CML). I leads to cell death by concomitant induction of apoptosis and autophagy, shows good pharmacokinetic properties, and demonstrates a significant reduction of tumor growth in vivo on A375 xenograft model in mice.

Journal of Medicinal Chemistry published new progress about 10543-42-7. 10543-42-7 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Chloride,Sulfonyl chlorides,Ester, name is Coumarin-6-sulfonyl chloride, and the molecular formula is C9H5ClO4S, COA of Formula: C9H5ClO4S.

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