912347-86-5

Basic information

• Product Name: 5-Isoxazolecarboxylic acid, 3-[3-(trifluoromethyl)phenyl]-, ethyl ester
• CAS NO: 912347-86-5
• Molecular Formula: C13H10F3NO3
• Molecular Weight: 285.223
• Mol File: 912347-86-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 5-Isoxazolecarboxylic acid, 3-[3-(trifluoromethyl)phenyl]-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Isoxazolecarboxylic acid, 3-[3-(trifluoromethyl)phenyl]-, ethyl ester(912347-86-5)
• EPA Substance Registry System: 5-Isoxazolecarboxylic acid, 3-[3-(trifluoromethyl)phenyl]-, ethyl ester(912347-86-5)

Safety Data

• Hazardous Substances Data: 912347-86-5(Hazardous Substances Data)

Upstream product

• 368-83-2 3-(trifluoromethyl)benzaldehyde oxime 
• 623-47-2 propynoic acid ethyl ester 
• 69053-93-6 α-chloro-(3-trifluoromethylbenzaldehyde)oxime 
• 454-89-7 3-Trifluoromethylbenzaldehyde 

Relevant articles and documents

Alkyl Nitrites: Novel Reagents for One-Pot Synthesis of 3,5-Disubstituted Isoxazoles from Aldoximes and Alkynes

An efficient, one-pot approach has been described for the synthesis of 3,5-disubstituted isoxazoles from substituted aldoximes (mixture of E and Z) and alkynes, using alkyl nitrites under conventional heating conditions. The key nitrile oxide intermediates that are required for the synthesis of isoxazoles are formed by treatment of substituted aldoxime with either tert-butyl nitrite or isoamyl nitrite. The generated nitrile oxides underwent in situ [3+2] dipolar cycloaddition to the substituted alkynes to give 3,5-disubstituted isoxazoles regioselectively in high to excellent yields. The developed synthetic methodology was applied for the synthesis of a previously reported potent hDGAT1 inhibitor.