(S)-5-Chloro-Alpha-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-Alpha-(trifluoromethyl)benzenemethanol

CAS: 173676-60-3

Ref. TR-C366130

Product Information

• Name: (S)-5-Chloro-Alpha-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-Alpha-(trifluoromethyl)benzenemethanol
• Synonyms: (S)-5-Chloro-α-(2-cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-α-(trifluoro-methyl)benzenemethanol
• Brand: TRC

Description

Applications (S)-5-Chloro-α-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-α-(trifluoromethyl)benzenemethanol is the S enantiomer of rac-5-Chloro-α-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-α-(trifluoromethyl)benzenemethanol (C365145). (S)-5-Chloro-α-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-α-(trifluoromethyl)benzenemethanol is also an impurity of Efavirenz (E425000), an HIV-1 reverse transcriptase inhibitor.
References Pierce, M., et al.: J. Org. Chem., 63, 8536 (1998)

Chemical properties

• Molecular weight: 409.83
• Formula: C₂₁H₁₉ClF₃NO₂
• Color/Form: Neat
• InChI: InChI=1S/C21H19ClF3NO2/c1-28-17-7-4-15(5-8-17)13-26-19-9-6-16(22)12-18(19)20(27,21(23,24)25)11-10-14-2-3-14/h4-9,12,14,26-27H,2-3,13H2,1H3/t20-/m0/s1
• SMILES: COc1ccc(CNc2ccc(Cl)cc2[C@@](O)(C#CC2CC2)C(F)(F)F)cc1