4-(3-Bromopent-1-yn-1-yl)-6-chloro-4-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-2(4H)-one

Ref. TR-B143420

Product Information

• Name: 4-(3-Bromopent-1-yn-1-yl)-6-chloro-4-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-2(4H)-one
• Synonyms: 4-(3-bromopent-1-ynyl)-6-chloro-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
• Brand: TRC
• Description: Applications 4-(3-Bromopent-1-yn-1-yl)-6-chloro-4-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-2(4H)-one is the proposed intermediate in the synthesis of (4S)-6-Chloro-4-(3-((4-chloro-2-((S)-4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl)phenyl)amino)pent-1-yn-1-yl)-4-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-2(4H)-one (Mixture of Diastereomers) (C360045) which is an impurity of Efavirenz (E425000) which is a nonnucleoside HIV-1 reverse transcriptase inhibitor. Antiviral.References Young, S.D., et al.: Antimicrob. Ag. Chemother., 39, 2602 (1995),

Chemical properties

• Molecular weight: 396.587
• Formula: C₁₄H₁₀BrClF₃NO₂
• Color/Form: Neat
• InChI: InChI=1S/C14H10BrClF3NO2/c1-2-8(15)5-6-13(14(17,18)19)10-7-9(16)3-4-11(10)20-12(21)22-13/h3-4,7-8H,2H2,1H3,(H,20,21)
• SMILES: CCC(Br)C#CC1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21