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CAS Number: 17740-40-8
diethyl 1-benzylpyrrolidine-2,5-dicarboxylate

Structure

diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
Name: diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
Synonyms:
General Information
Product Number: 17740408
CAS Registry Number: 17740-40-8
Name:
        2,​5-​Pyrrolidinedicarboxy​lic acid, 1-​(phenylmethyl)​-​, 2,​5-​diethyl ester
        2,​5-​Pyrrolidinedicarboxy​lic acid, 1-​(phenylmethyl)​-​, diethyl ester (9CI); 2,​5-​Pyrrolidinedicarboxy​lic acid, 1-​benzyl-​, diethyl ester (6CI,​7CI,​8CI); 1-​Benzyl-​2,​5-​bis(ethoxycarbonyl)​pyrrolidine; Diethyl 1-​benzyl-​2,​5-​pyrrolidinedicarboxy​late 
 
Chemical Formula: C17H23NO4
Exact Mass: 305.16
Molecular Weight: 305.37
m/z: 305.16 (100.0%), 306.17 (18.8%), 307.17 (2.5%)
Elemental Analysis: C, 66.86; H, 7.59; N, 4.59; O, 20.96
 
InChI: InChI=1S/C17H23NO4/c1-3-21-16(19)14-10-11-15(17(20)22-4-2)18(14)12-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3
InChIKey: LDUSEIANLSWKPY-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1CCC(N1CC2=CC=CC=C2)C(=O)OCC
 
Thermal Properties Value Condition Note
Boiling Point 210-216 °C Press: 14 Torr (1)CAS
Boiling Point 138 °C Press: 1 Torr (2)CAS

Specification

98%

References
  1. (1) Kirchner, Frederick K.; US 3328396 1967 CAPLUS
  2. (2) Hill, Arthur J., Jr.; US 2596099 1952 CAPLUS
  3. (3) Huang, Long-Jiang; Chinese Chemical Letters 2011, V22(5), P523-526 CAPLUS
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