5-Hydroxy-4-propylfuran-2(5H)-one - CAS 78920-10-2

Catalog:	BB036259
Product Name:	5-Hydroxy-4-propylfuran-2(5H)-one
CAS:	78920-10-2
Synonyms:	2-hydroxy-3-propyl-2H-furan-5-one; 2-hydroxy-3-propyl-2H-furan-5-one

Technical Data

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Computed Properties

IUPAC Name:	2-hydroxy-3-propyl-2H-furan-5-one
Description:	5-Hydroxy-4-propylfuran-2(5H)-one (CAS# 78920-10-2) is a useful research chemical.
Molecular Weight:	142.15
Molecular Formula:	C7H10O3
Canonical SMILES:	CCCC1=CC(=O)OC1O
InChI:	InChI=1S/C7H10O3/c1-2-3-5-4-6(8)10-7(5)9/h4,7,9H,2-3H2,1H3
InChI Key:	KQMCGGGTJKNIMC-UHFFFAOYSA-N
Boiling Point:	325.76 °C at 760 mmHg
Density:	1.198 g/cm³
LogP:	0.58810

Publication Number	Title	Priority Date
CN-111848483-A	Asymmetric catalytic preparation method of brivaracetam	20200720
CN-111154735-A	Preparation method of ketene reductase and brivaracetam intermediate	20200110
WO-2021124066-A1	Process for the preparation of brivaracetam	20191220
CN-112341413-A	Intermediate for synthesizing brivaracetam and preparation method thereof	20191218
US-10781170-B1	Process for preparing Brivaracetam	20191021

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.062994177
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6