3,3-Dichloro-1-(4-nitrophenyl)-2-piperidinone - CAS 881386-01-2

Catalog:	BB038746
Product Name:	3,3-Dichloro-1-(4-nitrophenyl)-2-piperidinone
CAS:	881386-01-2
Synonyms:	3,3-dichloro-1-(4-nitrophenyl)-2-piperidinone; 3,3-dichloro-1-(4-nitrophenyl)piperidin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	3,3-dichloro-1-(4-nitrophenyl)piperidin-2-one
Description:	3,3-Dichloro-1-(4-nitrophenyl)-2-piperidinone (CAS# 881386-01-2 ) is a useful research chemical.
Molecular Weight:	289.11
Molecular Formula:	C11H10Cl2N2O3
Canonical SMILES:	C1CC(C(=O)N(C1)C2=CC=C(C=C2)[N+](=O)[O-])(Cl)Cl
InChI:	InChI=1S/C11H10Cl2N2O3/c12-11(13)6-1-7-14(10(11)16)8-2-4-9(5-3-8)15(17)18/h2-5H,1,6-7H2
InChI Key:	KKVYXBZVPRSWHE-UHFFFAOYSA-N
LogP:	3.48370

Publication Number	Title	Priority Date
CN-107955002-A	The preparation method of Eliquis and its intermediate	20171227
CN-107955002-B	Preparation method of apixaban and intermediate thereof	20171227
CN-107400131-B	Apixaban derivatives, preparation method and application thereof	20170824
US-2017015663-A1	Process for the preparation of apixaban and intermediates thereof	20140905
US-2017362232-A1	Process for the preparation of apixaban and intermediates thereof	20140905

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Related Functional Groups

Piperidones

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Rifabutin EP Impurity A
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Complexity:	349
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.0068476
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	288.0068476
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8