Product Number: 51535003
CAS Registry Number: 51535-00-3
Name:
3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)-, methyl ester
3-Pyrrolidinecarboxylic acid, 1-benzyl-5-oxo-, methyl ester (6CI,7CI); 1-Benzyl-5-oxopyrrolidine-3-carboxylate methyl ester; 1-Benzyl-5-oxopyrrolidine-3-carboxylic acid methyl ester; Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate; Methyl 5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylate; NSC 176916
Deleted CAS Registry Numbers: 126344-01-2
Chemical Formula: C13H15NO3
Exact Mass: 233.11
Molecular Weight: 233.26
m/z: 233.11 (100.0%), 234.11 (14.3%), 235.11 (1.6%)
Elemental Analysis: C, 66.94; H, 6.48; N, 6.00; O, 20.58
InChI: InChI=1S/C13H15NO3/c1-17-13(16)11-7-12(15)14(9-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey: WTRWSSDZHQOPJI-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1CC(=O)N(C1)CC2=CC=CC=C2
| Thermal Properties |
Value |
Condition |
Note |
| Boiling Point |
150 °C |
Press: 2 Torr |
(1)IC |
| Melting Point |
71-73 °C |
|
(5)CAS |
| Melting Point |
64-65 °C |
|
(7)CAS |
|
- (1) Tsuge, Otohiko; Bulletin of the Chemical Society of Japan 1986, V59(8), P2537-45 CAPLUS
- (2) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
- (3) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
- (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
- (5) Stanetty, Peter; Molecules 2005, V10(2), P367-375 CAPLUS
- (6) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
- (7) Wu, Yao-Hua; Journal of Organic Chemistry 1961, V26, P1519-24 CAPLUS
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