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39514-19-7

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39514-19-7 Structure

39514-19-7 Structure
IdentificationBack Directory
[Name]

1-BENZYL-3-OXO-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER
[CAS]

39514-19-7
[Synonyms]

N-BENZYL-4-CARBETHOXY-3-PIPERIDONE
N-Benzyl-3-oxo-4-piperidinecarboxylate
1-benzyl-3-oxopiperidine-4-carboxylate
Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate
ethyl 1-benzyl-3-oxopiperidine-4-carboxylate
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
3-Oxo-1-phenylmethyl-4-piperidinecarboxylic acid ethyl ester
-BENZYL-3-CARBETHOXYPIPERIDIN-4-ONE (DROPERIDOL INTERMEDIATE)
3-Oxo-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester
4-piperidinecarboxylic acid, 3-oxo-1-(phenylmethyl)-, ethyl ester
[EINECS(EC#)]

254-482-4
[Molecular Formula]

C15H19NO3
[MDL Number]

MFCD00044512
[MOL File]

39514-19-7.mol
[Molecular Weight]

261.32
Chemical PropertiesBack Directory
[Boiling point ]

368.6±42.0 °C(Predicted)
[density ]

1.154
[refractive index ]

1.544
[storage temp. ]

Sealed in dry,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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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
Hazard InformationBack Directory
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate(39514-19-7)1HNMR
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