(S)-2-(Hydroxymethyl)-1,4-dioxane - CAS 406913-93-7

Catalog:	BB024621
Product Name:	(S)-2-(Hydroxymethyl)-1,4-dioxane
CAS:	406913-93-7
Synonyms:	[(2S)-1,4-dioxan-2-yl]methanol; [(2S)-1,4-dioxan-2-yl]methanol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	[(2S)-1,4-dioxan-2-yl]methanol
Description:	(S)-2-(Hydroxymethyl)-1,4-dioxane (CAS# 406913-93-7) is a useful research chemical.
Molecular Weight:	118.13
Molecular Formula:	C5H10O3
Canonical SMILES:	C1COC(CO1)CO
InChI:	InChI=1S/C5H10O3/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2/t5-/m0/s1
InChI Key:	CMEPUAROFJSGJN-YFKPBYRVSA-N
Density:	1.102 g/cm³
LogP:	-0.60590

Publication Number	Title	Priority Date
WO-2021173523-A1	Hot melt extruded solid dispersions containing a bcl2 inhibitor	20200224
WO-2021133817-A1	1h-pyrrolo[2,3-b]pyridine derivatives as bcl-2 inhibitors for the treatment of neoplastic and autoimmune diseases	20191227
WO-2021122415-A1	Furoindazole derivatives	20191219
WO-2021119254-A1	Antagonists of the muscarinic acetylcholine receptor m4	20191210
WO-2021119265-A1	Antagonists of the muscarinic acetylcholine receptor m4	20191210

PMID	Publication Date	Title	Journal
17287124	20070401	Synthesis of dioxane-based antiviral agents and evaluation of their biological activities as inhibitors of Sindbis virus replication	Bioorganic & medicinal chemistry

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	64.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	118.062994177
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	118.062994177
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9