2,4-Piperidinedione - CAS 50607-30-2

Catalog:	BB027136
Product Name:	2,4-Piperidinedione
CAS:	50607-30-2
Synonyms:	piperidine-2,4-dione

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Computed Properties

IUPAC Name:	piperidine-2,4-dione
Description:	2,4-Piperidinedione (CAS# 50607-30-2) is a reactant in the synthesis of 1,4-dihydropyridines as TGFβ/Smad inhibitors.
Molecular Weight:	113.11
Molecular Formula:	C5H7NO2
Canonical SMILES:	C1CNC(=O)CC1=O
InChI:	InChI=1S/C5H7NO2/c7-4-1-2-6-5(8)3-4/h1-3H2,(H,6,8)
InChI Key:	RDNZDMDLRIQQAX-UHFFFAOYSA-N
Boiling Point:	362.1 °C at 760 mmHg
Purity:	97.0 %
Density:	1.184 g/cm³
LogP:	-0.20570

Publication Number	Title	Priority Date
CN-111393440-A	Method for preparing pharmaceutical intermediate 5,10-diaryl pyrido [4,3-b ] [1,6] naphthyridine derivative	20200508
CN-111393440-B	Method for preparing pharmaceutical intermediate 5,10-diaryl pyrido [4,3-b ] [1,6] naphthyridine derivative	20200508
WO-2021198020-A1	3-(anilino)-2-[3-(3-alkoxy-pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one derivatives as egfr inhibitors for the treatment of cancer	20200331
WO-2021180147-A1	Influenza virus inhibitor	20200313
JP-2021119130-A	A drug consisting of a fused lactam derivative	20200129

PMID	Publication Date	Title	Journal
21522933	20110108	(R)-(+)-Dimeth-yl[4-oxido-2-oxo-1-(1-phenyl-eth-yl)-1,2,5,6-tetra-hydro-pyridin-3-yl]sulfonium	Acta crystallographica. Section E, Structure reports online
18302416	20080321	Preparation and intramolecular [2+2]-photocycloaddition of 1,5-dihydropyrrol-2-ones and 5,6-dihydro-1H-pyridin-2-ones with C-, N-, and O-linked alkenyl side chains at the 4-position	The Journal of organic chemistry
16968083	20060920	A quantitative structure-activity relationship study of herbicidal analogues of alpha-hydroxy-substituted 3-benzylidenepyrrolidene-2,4-diones	Journal of agricultural and food chemistry

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Related Functional Groups

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GHS Hazard Statement:	H302 (99.24%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.047678466
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.047678466
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8