5,6-Dihydro-2H-pyran-2-one - CAS 3393-45-1

Catalog:	BB021901
Product Name:	5,6-Dihydro-2H-pyran-2-one
CAS:	3393-45-1
Synonyms:	2,3-dihydropyran-6-one

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Computed Properties

IUPAC Name:	2,3-dihydropyran-6-one
Description:	5,6-Dihydro-2H-pyran-2-one (CAS# 3393-45-1) is a useful research chemical.
Molecular Weight:	98.10
Molecular Formula:	C5H6O2
Canonical SMILES:	C1COC(=O)C=C1
InChI:	InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2
InChI Key:	QBDAFARLDLCWAT-UHFFFAOYSA-N
Boiling Point:	103 °C (10 torr)
Purity:	98 %
Density:	1.139 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00010439
LogP:	0.48950

Publication Number	Title	Priority Date
CN-112851688-A	Chromene coumarin derivative containing 4-hydroxy-3-methoxyphenyl functional group and preparation method and application thereof	20210121
CN-112920194-A	Chromene coumarin derivative containing fluorine functional group and preparation method and application thereof	20210121
CN-112409345-A	Preparation method of novel dihydropyronyl coumarin compound	20201120
US-2021313617-A1	Lithium-ion battery with anode comprising blend of intercalation-type anode material and conversion-type anode material	20200403
WO-2021203086-A1	Lithium-ion battery with anode comprising blend of intercalation-type anode material and conversion-type anode material	20200403

PMID	Publication Date	Title	Journal
22137345	20120101	5- and 6-membered (thio)lactones are prodrug type carbonic anhydrase inhibitors	Bioorganic & medicinal chemistry letters
21207582	20110110	Domino Pd-catalyzed Heck cyclization and bismuth-catalyzed hydroamination: formal synthesis of elacomine and isoelacomine	Chemistry (Weinheim an der Bergstrasse, Germany)
21687632	20110101	Adeno-associated viral vector-mediated transgene expression is independent of DNA methylation in primate liver and skeletal muscle	PloS one
22389842	20110101	Synthesis and Inhibiting Activity of Some 4-Hydroxycoumarin Derivatives on HIV-1 Protease	ISRN pharmaceutics
19422206	20090601	Bioactive 5,6-dihydro-alpha-pyrone derivatives from Hyptis brevipes	Journal of natural products

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Related Functional Groups

Pyrans

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Methyl coumalate
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Methyl tetrahydro-2H-pyran-4-carboxylate
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[57999-49-2]
2-(3-Bromophenoxy)tetrahydropyran
[27444-41-3]
tetrahydro-2H-pyran-3-yl 4-Methylbenzenesulfonate
[10521-08-1]
Tetrahydropyran-2,4,6-trione

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.036779430
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	98.036779430
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7