4,5-Dimethyl-1,3-dioxol-2-one - CAS 37830-90-3

Catalog:	BB023437
Product Name:	4,5-Dimethyl-1,3-dioxol-2-one
CAS:	37830-90-3
Synonyms:	4,5-dimethyl-1,3-dioxol-2-one; 4,5-dimethyl-1,3-dioxol-2-one

Technical Data

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Computed Properties

IUPAC Name:	4,5-dimethyl-1,3-dioxol-2-one
Description:	4,5-Dimethyl-1,3-dioxol-2-one (CAS# 37830-90-3) is a dioxolanone derivative used in the preparation of synthetic chemotherapeutic antibiotics such as Prulifloxacin (P838885).
Molecular Weight:	114.10
Molecular Formula:	C5H6O3
Canonical SMILES:	CC1=C(OC(=O)O1)C
InChI:	InChI=1S/C5H6O3/c1-3-4(2)8-5(6)7-3/h1-2H3
InChI Key:	QYIOFABFKUOIBV-UHFFFAOYSA-N
Boiling Point:	130 °C / 6 mmHg
MDL:	MFCD00135139
LogP:	0.84960

Publication Number	Title	Priority Date
CN-113214215-A	Preparation method of key intermediate of olmesartan medoxomil	20210520
CN-113161157-A	Silicon-based composite anode active material, silicon-based composite anode, and preparation method and application thereof	20210423
CN-113130843-A	Electrode and preparation method thereof	20210410
KR-20210096289-A	Anode active material and electrochemical device and electronic device including same	20210331
JP-2021101432-A	Method for manufacturing non-aqueous electrolyte solution for batteries, lithium secondary battery precursor, lithium secondary battery, and lithium secondary battery	20210330

PMID	Publication Date	Title	Journal
21565516	20110601	New prodrugs of Adefovir and Cidofovir	Bioorganic & medicinal chemistry
16508242	20060301	[Preparation and characterization of (5-methyl-2-oxo-1,3-dioxol-4-yl) methyl thiamine sulfides]	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan

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Related Functional Groups

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[87-88-7]
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[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.031694049
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	114.031694049
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1