CAS Registry Number: 203866-15-3

Name:

1,​2-​Pyrrolidinedicarboxy​lic acid, 4,​4-​difluoro-​, 1-​(1,​1-​dimethylethyl) ester, (2S)​-
1,​2-​Pyrrolidinedicarboxy​lic acid, 4,​4-​difluoro-​, 1-​(1,​1-​dimethylethyl) ester, (S)​-; (2S)​-​1-​(tert-​Butoxycarbonyl)​-​4,​4-​difluoro-​2-​pyrrolidinecarboxyli​c acid; (2S)​-​1-​(tert-​Butoxycarbonyl)​-​4,​4-​difluoropyrrolidine-​2-​carboxylic acid; (2S)​-​1-​tert-​Butoxycarbonyl-​4,​4-​difluoropyrrolidine-​2-​carboxylic acid; (S)​-​1-​(tert-​Butoxycarbonyl)​-​4,​4-​difluoropyrrolidine-​2-​carboxylic acid; N-​Boc-​4,​4-​difluoro-​L-​proline 

Chemical Formula: C10H15F2NO4
Exact Mass: 251.10
Molecular Weight: 251.23
m/z: 251.10 (100.0%), 252.10 (11.1%), 253.10 (1.4%)
Elemental Analysis: C, 47.81; H, 6.02; F, 15.12; N, 5.58; O, 25.47

InChI: InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)/t6-/m0/s1
InChIKey: WTMZYKCXBXPVPT-LURJTMIESA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CC(CC1C(=O)O)(F)F
Isomeric SMILES: CC(C)(C)OC(=O)N1CC(C[C@H]1C(=O)O)(F)F

Specification

98%

1. (1) Staas, Donnette D.; WO 2004032834 A2 2004 CAPLUS