CAS Registry Number: 95656-88-5

Name:

1-​Pyrrolidinecarboxyli​c acid, 3-​hydroxy-​, phenylmethyl ester
3-​Hydroxypyrrolidine-​1-​carboxylic acid benzyl ester; Benzyl 3-​hydroxy-​1-​pyrrolidinecarboxyla​te; N-​Benzyloxycarbonyl-​3-​hydroxypyrrolidine; N-​Benzyloxycarbonyl-​3-​pyrrolidinol 

Deleted CAS Registry Numbers: 130466-​56-​7

Chemical Formula: C12H15NO3
Exact Mass: 221.11
Molecular Weight: 221.25
m/z: 221.11 (100.0%), 222.11 (13.3%), 223.11 (1.5%)
Elemental Analysis: C, 65.14; H, 6.83; N, 6.33; O, 21.69

InChI: InChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKey: MBLJFGOKYTZKMH-UHFFFAOYSA-N
Canonical SMILES : C1CN(CC1O)C(=O)OCC2=CC=CC=C2

Specification

98%

1. (1) Plouvier, Bertrand; Journal of Medicinal Chemistry 2007, V50(12), P2818-2841 CAPLUS
2. (2) Brown, Herbert C.; Journal of Organic Chemistry 1985, V50(10), P1582-9 CAPLUS
3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
4. (4) Lihammar, Richard; Advanced Synthesis & Catalysis 2011, V353(13), P2321-2327 CAPLUS