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CAS Number: 209414-27-7
(S)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol

Structure

(S)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol
Name: (S)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol
Synonyms:
General Information
Product Number: 209414277
 
 
CAS Registry Number:
209414-27-7
Name:
Benzenemethanol, 2-​amino-​5-​chloro-​α-​(2-​cyclopropylethynyl)​-​α-​(trifluoromethyl)​-​, (αS)​-
Benzenemethanol, 2-​amino-​5-​chloro-​α-​(cyclopropylethynyl)​-​α-​(trifluoromethyl)​-​, (αS)​- (9CI); (S)​-​1-​(2-​Amino-​5-​chlorophenyl)​-​1-​(trifluoromethyl)​-​3-​cyclopropyl-​2-​propyn-​1-​ol; (S)​-​2-​(2-​Amino-​5-​chlorophenyl)​-​4-​cyclopropyl-​1,​1,​1-​trifluoro-​3-​butyn-​2-​ol; (αS)​-​2-​Amino-​5-​chloro-​α-​(cyclopropylethynyl)​-​α-​(trifluoromethyl)​benzenemethanol; SD 573 
 
Deleted CAS Registry Numbers: 1093353-​63-​9
 
Chemical Formula: C13H11ClF3NO
Exact Mass: 289.05
Molecular Weight: 289.68
m/z: 289.05 (100.0%), 291.05 (33.1%), 290.05 (14.6%), 292.05 (4.6%)
Elemental Analysis: C, 53.90; H, 3.83; Cl, 12.24; F, 19.68; N, 4.84; O, 5.52
 
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
Canonical SMILES : C1CC1C#CC(C2=C(C=CC(=C2)Cl)N)(C(F)(F)F)O
Isomeric SMILES: C1CC1C#C[C@](C2=C(C=CC(=C2)Cl)N)(C(F)(F)F)O

Specification

98%

References

  • (1) Chinkov, Nicka; Angewandte Chemie, International Edition 2011, V50(13), P2957-2961, S2957/1-S2957/25 CAPLUS
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