1-(2-Amino-5-chlorophenyl)-1-(trifluoromethyl)-3-cyclopropyl-2-propyn-1-ol

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For Research Use Only.

Category

Impurities

Cat.No.

NP2681

CAS

209414-27-7

Product Name

1-(2-Amino-5-chlorophenyl)-1-(trifluoromethyl)-3-cyclopropyl-2-propyn-1-ol

Structure

Product Details

Description

Intermediate in the preparation of Efavirenz (E425000) impurity.

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; USP Efavirenz Related Compound A

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

Form

Powder

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