3-Hydroxyoxetane - CAS 7748-36-9

Catalog:	BB035960
Product Name:	3-Hydroxyoxetane
CAS:	7748-36-9
Synonyms:	oxetan-3-ol

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	oxetan-3-ol
Description:	3-Hydroxyoxetane (CAS# 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.
Molecular Weight:	74.08
Molecular Formula:	C3H6O2
Canonical SMILES:	C1C(CO1)O
InChI:	InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2
InChI Key:	QMLWSAXEQSBAAQ-UHFFFAOYSA-N
Boiling Point:	153.124 °C at 760 mmHg
Purity:	> 95 %
Density:	1.255 g/cm³
MDL:	MFCD09056790
LogP:	-0.62250

Publication Number	Title	Priority Date
WO-2021202796-A1	Pyrrolidine-pyrazoles as pyruvate kinase activators	20200401
US-2021284670-A1	Antiviral compounds	20200218
WO-2021167882-A1	Antiviral compounds	20200218
WO-2021168038-A1	Antiviral compounds	20200218
CN-111303118-A	Compounds and their use in the treatment of hepatitis B	20200217

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GHS Hazard Statement:	H302 (95.45%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	31.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	74.036779430
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	74.036779430
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8