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Ethyl 1-Methyl-2-oxopiperidine-3-carboxylate

Ethyl 1-Methyl-2-oxopiperidine-3-carboxylate - CAS 21576-27-2

Catalog:	BB016975
Product Name:	Ethyl 1-Methyl-2-oxopiperidine-3-carboxylate
CAS:	21576-27-2
Synonyms:	1-methyl-2-oxo-3-piperidinecarboxylic acid ethyl ester; ethyl 1-methyl-2-oxopiperidine-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 1-methyl-2-oxopiperidine-3-carboxylate
Description:	Ethyl 1-Methyl-2-oxopiperidine-3-carboxylate (CAS# 21576-27-2) is a useful research chemical.
Molecular Weight:	185.22
Molecular Formula:	C9H15NO3
Canonical SMILES:	CCOC(=O)C1CCCN(C1=O)C
InChI:	InChI=1S/C9H15NO3/c1-3-13-9(12)7-5-4-6-10(2)8(7)11/h7H,3-6H2,1-2H3
InChI Key:	RCFIDKPBGWQLTE-UHFFFAOYSA-N
LogP:	0.35580

Publication Number	Title	Priority Date
EP-3480190-A1	Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols	20171101
US-10358422-B2	Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols	20171101
US-2019135754-A1	Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols	20171101
US-2020048201-A1	Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols	20171101
US-10745354-B2	Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols	20171101

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Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.10519334
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.10519334
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6