104721-33-7

Basic information

• Product Name: 4-Isoxazolecarboxylicacid,3-phenyl-5-(trifluoromethyl)-,methylester(9CI)
• Synonyms: 4-Isoxazolecarboxylicacid,3-phenyl-5-(trifluoromethyl)-,methylester(9CI)
• CAS NO: 104721-33-7
• Molecular Formula: C₁₂H₈F₃NO₃
• Molecular Weight: 0
• Product Categories: ISOXAZOLE
• Mol File: 104721-33-7.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-Isoxazolecarboxylicacid,3-phenyl-5-(trifluoromethyl)-,methylester(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Isoxazolecarboxylicacid,3-phenyl-5-(trifluoromethyl)-,methylester(9CI)(104721-33-7)
• EPA Substance Registry System: 4-Isoxazolecarboxylicacid,3-phenyl-5-(trifluoromethyl)-,methylester(9CI)(104721-33-7)

Safety Data

• Hazardous Substances Data: 104721-33-7(Hazardous Substances Data)

Upstream product

• 186581-53-3 diazomethane 
• 698-16-8 benzohydroximoyl chloride 
• 70577-95-6 methyl 4,4,4-trifluoro-2-butynoate 

Relevant articles and documents

A novel resin-bound CF3-containing building block: Application to the solid-phase synthesis of CF3-containing acrylates and 4-isoxazolecarboxylates

A novel resin-bound CF3-containing building block (3) was prepared. Stereospecific Suzuki cross-coupling of compound 3 with a variety of aryl boronic acids gave the corresponding resin-bound coupling products (4), which can be cleaved with sodium methoxide to afford methyl (E)-3-aryl-4,4,4-trifluoro-2-butenoate (5). 1,3-Dipolar cycloaddition of compound 3 with aryl nitrile oxides followed by cleavage with TFA led to methyl 3-aryl-5-trifluoromethyl-4-isoxazolecarboxylate regioselectively, which was determined by 19F NMR analysis.

A Facile Synthesis of Fluoroalkylisoxazoles

Fluorinated isoxazoles are synthesized from aromatic nitrile oxides and methyl perfluoro-2-alkynoates.