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Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate

Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate Structure
CAS No.
39514-19-7
Chemical Name:
Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate
Synonyms
ethyl 1-benzyl-3-oxopiperidine-4-carboxylate;1-benzyl-3-oxopiperidine-4-carboxylate;N-BENZYL-4-CARBETHOXY-3-PIPERIDONE;N-Benzyl-3-oxo-4-piperidinecarboxylate;Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate;ETHYL N-BENZYL-3-KETOPIPERIDINE-4-CARBOXYLATE;1-BENZYL-3-OXO-PIPERIDINE-4-CARBOXYLIC ACID ETH;Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate,0.95;Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate;1-BENZYL-3-OXO-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER
CBNumber:
CB4160661
Molecular Formula:
C15H19NO3
Molecular Weight:
261.32
MOL File:
39514-19-7.mol
MSDS File:
SDS
Modify Date:
2024/8/2 17:00:26

Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate Properties

Boiling point 368.6±42.0 °C(Predicted)
Density 1.154
refractive index 1.544
storage temp. 2-8°C
pka 10.85±0.20(Predicted)
InChI InChI=1S/C15H19NO3/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
InChIKey JYFGIESQUYQLGM-UHFFFAOYSA-N
SMILES N1(CC2=CC=CC=C2)CCC(C(OCC)=O)C(=O)C1
LogP 1.680 (est)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H335-H319-H315-H317
Precautionary statements  P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HazardClass  IRRITANT
HS Code  2933399990

Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate Chemical Properties,Uses,Production

Uses

The microbial reduction of ethyl 1-benzyl-3-oxopiperidine-4-carboxylate could be used to make the ethyl cis-(3R,4R)-1-benzyl-3R-hydroxypiperidine-4R-carboxylate in high diastereomeric and enantiomeric excess[1].

References

[1] Zhiwei Guo. “Stereospecific microbial reduction of ethyl 1-benzyl-3-oxo-piperidine-4-carboxylate.” Tetrahedron, asymmetry 17 13 (2006): Pages 2015-2020.

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4-piperidinecarboxylic acid, 3-oxo-1-(phenylmethyl)-, ethyl ester N-Benzyl-3-oxo-4-piperidinecarboxylate 1-BENZYL-3-OXO-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER ETHYL N-BENZYL-3-KETOPIPERIDINE-4-CARBOXYLATE 3-Oxo-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester 3-Oxo-1-phenylmethyl-4-piperidinecarboxylic acid ethyl ester Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate,0.95 -BENZYL-3-CARBETHOXYPIPERIDIN-4-ONE (DROPERIDOL INTERMEDIATE) 1-BENZYL-3-OXO-PIPERIDINE-4-CARBOXYLIC ACID ETH 1-benzyl-3-oxopiperidine-4-carboxylate N-BENZYL-4-CARBETHOXY-3-PIPERIDONE ethyl 1-benzyl-3-oxopiperidine-4-carboxylate Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate 39514-19-7