Efavirenz aminoalcohol

For Research Use Only.
Category
Impurities
Cat.No.
NP2681
CAS
209414-27-7
Product Name
Efavirenz aminoalcohol
Structure

Product Details

Description
An intermediate in the preparation of Efavirenz. Efavirenz is an antiretroviral medication used for the treatment of HIV/AIDS.
Synonyms
(S)-2-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluoro-3-butyn-2-ol; (αS)-2-Amino-5-chloro-α-(2-cyclopropylethynyl)-α-(trifluoromethyl)benzenemethanol; 1-(2-Amino-5-chlorophenyl)-1-(trifluoromethyl)-3-cyclopropyl-2-propyn-1-ol
IUPAC Name
(2S)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol
Molecular Weight
289.69
Molecular Formula
C13H11ClF3NO
Canonical SMILES
C1CC1C#CC(C2=C(C=CC(=C2)Cl)N)(C(F)(F)F)O
InChI
InChI=1S/C13H11ClF3NO/c14-9-3-4-11(18)10(7-9)12(19,13(15,16)17)6-5-8-1-2-8/h3-4,7-8,19H,1-2,18H2/t12-/m0/s1
InChIKey
KEMUGFRERPPUHB-LBPRGKRZSA-N
Melting Point
134-136°C
Purity
> 95%
Appearance
Off-White Solid
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