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

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

Product Name:
Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate
Synonyms:
  • N-BENZYL-4-CARBETHOXY-3-PIPERIDONE
  • N-Benzyl-3-oxo-4-piperidinecarboxylate
  • 1-BENZYL-3-OXO-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER
  • ETHYL N-BENZYL-3-KETOPIPERIDINE-4-CARBOXYLATE
  • ethyl 1-benzyl-3-oxopiperidine-4-carboxylate
  • 3-Oxo-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester
  • 3-Oxo-1-phenylmethyl-4-piperidinecarboxylic acid ethyl ester
  • 4-piperidinecarboxylic acid, 3-oxo-1-(phenylmethyl)-, ethyl ester
CAS:
39514-19-7
MF:
C15H19NO3
MW:
261.32
EINECS:
254-482-4
Mol File:
39514-19-7.mol
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Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate Chemical 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)
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Safety Information

HazardClass 
IRRITANT
HS Code 
2933399990
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Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate Usage And Synthesis

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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