8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol - CAS 66336-42-3

Catalog:	BB059072
Product Name:	8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol
CAS:	66336-42-3
Synonyms:	8-methyl-1,4-dioxaspiro[4.5]decan-8-ol; 8-Methyl-1,4-dioxaspiro[4,5]decan-8-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
Description:	8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol is used in preparation of pyrrolopyridine derivatives and related compounds as BCL-2 inhibitors for treating neoplastic, autoimmune or neurodegenerative diseases.
Molecular Weight:	172.22
Molecular Formula:	C9H16O3
Canonical SMILES:	CC1(CCC2(CC1)OCCO2)O
InChI:	InChI=1S/C9H16O3/c1-8(10)2-4-9(5-3-8)11-6-7-12-9/h10H,2-7H2,1H3
InChI Key:	AAYZDXMYYIJKLR-UHFFFAOYSA-N
References:	Chen, Y., et al. PCT Int. Appl., (2021).

Publication Number	Title	Priority Date
WO-2019210828-A1	Bcl-2 INHIBITORS	20180429
AU-2019264475-A1	Bcl-2 inhibitors	20180429
CA-3098348-A1	Bcl-2 inhibitors	20180429
BR-112020022092-A2	compounds, method for treating unregulated apoptotic diseases and pharmaceutical composition	20180429
CN-112437772-A	Bcl-2 inhibitors	20180429
EP-3788042-A1	Bcl-2 inhibitors	20180429
KR-20210005677-A	Bcl-2 inhibitor	20180429
JP-2021521138-A	Bcl-2 inhibitor	20180429
US-2021269433-A1	Bcl-2 inhibitors	20180429
KR-20170080514-A	Liquid crystal compound and liquid crystal composition including the same	20151230

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/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:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.109944368
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.109944368
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5