Tetrahydropyran-4-methanol - CAS 14774-37-9

Name: Tetrahydropyran-4-methanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB010231
Product Name:	Tetrahydropyran-4-methanol
CAS:	14774-37-9
Synonyms:	4-oxanylmethanol; oxan-4-ylmethanol

Technical Data

IUPAC Name:	oxan-4-ylmethanol
Description:	Tetrahydropyran-4-methanol (CAS# 14774-37-9) is used as a reagent in the identification and optimization of pteridinone Toll-like receptor 7 agonists, which can be used for the oral treatment of viral hepatitis. 4-(Hydroxymethyl)tetrahydropyran is also a starting material for [1-[(Tetrahydro-2H-pyran-4-yl)methyl]-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone which is a drug that acts as CB2 cannabinoid receptor agonist.
Molecular Weight:	116.16
Molecular Formula:	C6H12O2
Canonical SMILES:	C1COCCC1CO
InChI:	InChI=1S/C6H12O2/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2
InChI Key:	YSNVSVCWTBLLRW-UHFFFAOYSA-N
Boiling Point:	105-110 °C
Density:	1 g/cm³
MDL:	MFCD00457804
LogP:	0.40530

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

Publication Number	Title	Priority Date
US-2021284670-A1	Antiviral compounds	20200218
WO-2021167882-A1	Antiviral compounds	20200218
WO-2021168038-A1	Antiviral compounds	20200218
WO-2021158936-A1	Pyrrolo [2,3-b]pyridine-3-carboxamide compositions and methods for ameliorating hearing loss	20200205
WO-2021122415-A1	Furoindazole derivatives	20191219

Complexity:	57.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.083729621
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.083729621
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1