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CAS Number: 52763-21-0
ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride

Structure

ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride
Name: ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride
Synonyms:
General Information
Product Number: 52763210
CAS Registry Number: 52763-21-0
(Component: 39514-19-7)
Name:
4-​Piperidinecarboxylic acid, 3-​oxo-​1-​(phenylmethyl)​-​, ethyl ester, hydrochloride (1:1)
4-​Piperidinecarboxylic acid, 3-​oxo-​1-​(phenylmethyl)​-​, ethyl ester, hydrochloride (9CI); 1-​Benzyl-​3-​oxopiperidine-​4-​carboxylic acid ethyl ester hydrochloride; 1-​Benzyl-​3-​oxopiperidine-​4-​carboxylic acid ethyl ester monohydrochloride; 1-​Benzyl-​4-​carbethoxy-​3-​oxopiperidine hydrochloride; Ethyl 1-​benzyl-​3-​oxopiperidine-​4-​carboxylate hydrochloride; Ethyl 3-​oxo-​N-​benzylpiperidine-​4-​carboxylate hydrochloride; Ethyl N-​benzyl-​3-​oxo-​4-​piperidincarboxylate hydrochloride; Ethyl N-​benzyl-​3-​oxo-​4-​piperidinecarboxylat​e hydrochloride; N-​Benzyl-​4-​carbethoxy-​3-​piperidone hydrochloride; NSC 117336 
Deleted CAS Registry Numbers: 1010684-​90-​8
 
Chemical Formula: C15H20ClNO3
Exact Mass: 297.11
Molecular Weight: 297.78
m/z: 297.11 (100.0%), 299.11 (32.0%), 298.12 (16.6%), 300.11 (5.3%), 299.12 (1.9%)
Elemental Analysis: C, 60.50; H, 6.77; Cl, 11.91; N, 4.70; O, 16.12
 
InChI: InChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H
InChIKey: UQOMEAWPKSISII-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1CCN(CC1=O)CC2=CC=CC=C2.Cl
 
Thermal Properties Value Condition Note
Melting Point 162-165 °C   (1)CAS

Specification

98%

References
  1. (1) Connolly, Terrence J.; Organic Process Research & Development 2005, V9(1), P80-87 CAPLUS
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