Description

4-[5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole-3-yl]-2-methylbenzamide (CAS No. 864730-52-9) is a high-purity synthetic compound with the molecular formula C₁₈H₁₃Cl₂F₃N₂O₂. This specialized chemical features a unique dihydroisoxazole core substituted with a 3,5-dichlorophenyl group, a trifluoromethyl group, and a 2-methylbenzamide moiety, making it a valuable intermediate for pharmaceutical and agrochemical research. Its precise structure and functional groups offer potential reactivity for further derivatization in drug discovery and development. Suitable for use in analytical standards, medicinal chemistry, and biochemical studies, this compound is provided with comprehensive analytical data (HPLC, NMR, MS) to ensure quality and consistency. Store in a cool, dry environment under inert conditions to maintain stability.

Properties

• CAS Number: 864730-52-9
• Complexity: 606
• IUPAC Name: 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-isoxazol-3-yl]-2-methyl-benzamide
• InChI: InChI=1S/C18H13Cl2F3N2O2/c1-9-4-10(2-3-14(9)16(24)26)15-8-17(27-25-15,18(21,22)23)11-5-12(19)7-13(20)6-11/h2-7H,8H2,1H3,(H2,24,26)
• InChI Key: UDIXDQLZMGLDPI-UHFFFAOYSA-N
• Exact Mass: 416.0306175
• Molecular Formula: C18H13Cl2F3N2O2
• Molecular Weight: 417.2
• SMILES: CC1=C(C=CC(=C1)C2=NOC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)N
• Topological: 64.7
• Monoisotopic Mass: 416.0306175
• Synonyms: 4-(5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzamide, 864730-52-9, SCHEMBL738956, 4-[5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole-3-yl]-2-methylbenzamide, CS-0310489, 4-[5-(3,5-Dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-benzamide, 4-[5-(3,5-dichlorophenyl)-5-trifluoro methyl-4,5-dihydroisoxazol-3-yl]-2-methyl benzoic acid amide, 4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-2-methyl benzoic acid amide, 4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-2-methylbenzoic acid amide, 4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methyl benzoic acid amide, 4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methylbenzoic acid amide

Application

This compound serves as a key intermediate in the synthesis of novel bioactive molecules, particularly in the development of agrochemicals and pharmaceuticals targeting enzyme inhibition or receptor modulation. Researchers may explore its utility in designing trifluoromethyl-containing compounds for enhanced metabolic stability and lipophilicity. Its structural features make it a candidate for studying structure-activity relationships (SAR) in medicinal chemistry programs.

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