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CAS Number: 6216-63-3
(S)-benzyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate

Structure

(S)-benzyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
Name: (S)-benzyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
Synonyms:
General Information
Product Number: 6216633

CAS Registry Number: 6216-63-3

Name:

1-​Pyrrolidinecarboxyli​c acid, 2-​(hydroxymethyl)​-​, phenylmethyl ester, (2S)​-
1-​Pyrrolidinecarboxyli​c acid, 2-​(hydroxymethyl)​-​, benzyl ester, L- (8CI); 1-​Pyrrolidinecarboxyli​c acid, 2-​(hydroxymethyl)​-​, phenylmethyl ester, (S)​-; (S)​-​2-​Hydroxymethylpyrroli​dine-​1-​carboxylic acid benzyl ester; (S)​-​N-​Cbz-​prolinol; Benzyl (2S)​-​2-​(hydroxymethyl)​-​1-​pyrrolidinecarboxyla​te; Carbobenzyloxy-​L-​prolinol; N-​Benzyloxycarbonyl-​L-​prolinol; N-​Carbobenzyloxy-​L-​prolinol; N-​Cbz-​L-​prolinol; Phenylmethyl (2S)​-​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-/m0/s1
InChIKey: BJTNHGVCFWDNDP-LBPRGKRZSA-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

 

Thermal Properties Value Condition Note
Boiling Point 210-220 °C Press: 0.5 Torr (1)CAS

Specification

98%

References
  1. (1) Denmark, Scott E.; Tetrahedron: Asymmetry 2010, V21(9-10), P1278-1302 CAPLUS
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  3. (3) Konno, Hiroyuki; Heterocycles 2006, V68(12), P2579-2585 CAPLUS
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  5. (5) Goncalves, R. S. B.; Synthetic Communications 2011, V41(9), P1276-1281 CAPLUS
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  11. (11) Widianti, Triana; Tetrahedron: Asymmetry 2010, V21(15), P1861-1868 CAPLUS
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