CAS Registry Number: 72597-18-3

Name:

1-​Pyrrolidinecarboxyli​c acid, 2-​(hydroxymethyl)​-​, phenylmethyl ester, (2R)​-
1-​Pyrrolidinecarboxyli​c acid, 2-​(hydroxymethyl)​-​, phenylmethyl ester, (R)​-; (2R)​-​N-​(Benzyloxycarbonyl)​-​2-​hydroxymethylpyrroli​dine; (R)​-​2-​Hydroxymethylpyrroli​dine-​1-​carboxylic acid benzyl ester; (R)​-​N-​Cbz-​prolinol; Benzyl (2R)​-​2-​(hydroxymethyl)​-​1-​pyrrolidinecarboxyla​te 

Chemical Formula: C13H17NO3
Exact Mass: 235.12
Molecular Weight: 235.28
m/z: 235.12 (100.0%), 236.12 (14.4%), 237.13 (1.6%)
Elemental Analysis: C, 66.36; H, 7.28; N, 5.95; O, 20.40

InChI: InChI=1S/C13H17NO3/c15-9-12-7-4-8-14(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2/t12-/m1/s1
InChIKey: BJTNHGVCFWDNDP-GFCCVEGCSA-N
Canonical SMILES : C1CC(N(C1)C(=O)OCC2=CC=CC=C2)CO
Isomeric SMILES: C1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)CO

Specification

98%

(1) Kurokawa, Masayuki; Tetrahedron: Asymmetry 2003, V14(10), P1323-1333 CAPLUS
(2) Dei, Silvia; Bioorganic & Medicinal Chemistry 2003, V11(14), P3153-3164 CAPLUS