(4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazine-d2 ,13C1

CAS: 252253-57-9

Ref. TR-C365937

Product Information

• Name: (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazine-d2 ,13C1
• Synonyms: (4S)-6-chloro-4-(2-cyclopropylethynyl)-2,2-dideuterio-4-(trifluoromethyl)-1H-3,1-benzoxazine
• Brand: TRC
• Description: Applications (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazine-d2 ,13C1, is the labeled analogue of (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazine (C365935), used for the synthesis of Efavirenz (E425000), which is a nonnucleoside HIV-1 reverse transcriptase inhibitor.References Young, S.D., et al.: Antimicrob. Ag. Chemother., 39, 2602 (1995),

Chemical properties

• Molecular weight: 304.696
• Formula: CC₁₃D₂H₉ClF₃NO
• Color/Form: Neat
• InChI: InChI=1S/C14H11ClF3NO/c15-10-3-4-12-11(7-10)13(14(16,17)18,20-8-19-12)6-5-9-1-2-9/h3-4,7,9,19H,1-2,8H2/t13-/m0/s1/i8+1D2
• SMILES: [2H][13C]1([2H])Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1