4-Hydroxy-2-pyrrolidone - CAS 25747-41-5

Catalog:	BB019024
Product Name:	4-Hydroxy-2-pyrrolidone
CAS:	25747-41-5
Synonyms:	4-hydroxy-2-pyrrolidinone; 4-hydroxypyrrolidin-2-one

Technical Data

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Computed Properties

IUPAC Name:	4-hydroxypyrrolidin-2-one
Description:	An intermediate in the preparation of Oxiracetam.
Molecular Weight:	101.10
Molecular Formula:	C4H7NO2
Canonical SMILES:	C1C(CNC1=O)O
InChI:	InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)
InChI Key:	IOGISYQVOGVIEU-UHFFFAOYSA-N
Boiling Point:	363.6 °C at 760 mmHg
Density:	1.292 g/cm³
MDL:	MFCD01687254
LogP:	-0.80400

Publication Number	Title	Priority Date
CN-110804061-A	Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof	20191113
CN-110804061-B	Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof	20191113
WO-2021094312-A1	Pyrrolidine and bicycloheteroaryl containing oga inhibitor compounds	20191111
WO-2021083380-A1	Eed inhibitor, and preparation method therefor and use thereof	20191101
CN-109781900-A	A kind of HPLC detection method of the Oxiracetam in relation to substance	20190311

PMID	Publication Date	Title	Journal
22884742	20121001	Antimicrobial activity of bioactive compounds and leaf extracts in Jatropha tanjorensis	Fitoterapia
15034904	20040505	Study of the characterization and crystallization of 4-hydroxy-2-pyrrolidone	Chirality
15081344	20040401	Synthesis and evaluation of anti-apoptotic activity of L-carnitine cyclic analogues and amino acid derivatives	Farmaco (Societa chimica italiana : 1989)
11724250	20011101	Diastereoselective synthesis of (2R,4R)-2-aryl-4-hydroxypyrrolidine: preparation of the side chain of novel carbapenem	Chemical & pharmaceutical bulletin

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	91.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	101.047678466
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	101.047678466
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.4