CAS Registry Number: 140148-70-5

Name:

1,​3-​Pyrrolidinedicarboxy​lic acid, 1-​(1,​1-​dimethylethyl) ester, (3S)​-
1,​3-​Pyrrolidinedicarboxy​lic acid, 1-​(1,​1-​dimethylethyl) ester, (S)​-; (3S)​-​1-​(tert-​Butoxycarbonyl)​-​3-​pyrrolidinecarboxyli​c acid; (3S)​-​1-​[[(1,​1-​Dimethylethyl)​oxy]​carbonyl]​-​3-​pyrrolidinecarboxyli​c acid; (S)​-​1-​(tert-​Butoxycarbonyl)​pyrrolidine-​3-​carboxylic acid; (S)​-​3-​Carboxypyrrolidine-​1-​carboxylic acid tert-​butyl ester; Boc-​(S)​-​β-​proline 

Chemical Formula: C10H17NO4
Exact Mass: 215.12
Molecular Weight: 215.25
m/z: 215.12 (100.0%), 216.12 (11.2%), 217.12 (1.4%)
Elemental Analysis: C, 55.80; H, 7.96; N, 6.51; O, 29.73

InChI: InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKey: HRMRQBJUFWFQLX-ZETCQYMHSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCC(C1)C(=O)O
Isomeric SMILES: CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)O

Specification

98%

1. (1) Mendiola, Javier; Organic Process Research & Development 2009, V13(2), P292-296 CAPLUS