3-Oxaspiro[5.5]undecan-9-one - CAS 1159280-53-1

Name: 3-Oxaspiro[5.5]undecan-9-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB058427
Product Name:	3-Oxaspiro[5.5]undecan-9-one
CAS:	1159280-53-1
Synonyms:	3-Oxaspiro[5.5]undecan-9-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-oxaspiro[5.5]undecan-9-one
Description:	1-(2-Methoxyphenyl)-2-methylpropan-2-amine Hydrochloride is a useful reseach chemical compound used in the preparation of N-spirocyclyl oxopiperazinylacetamide derivatives as CGRP antagonists useful in treatment of diseases.
Molecular Weight:	168.23
Molecular Formula:	C10H16O2
Canonical SMILES:	C1CC2(CCC1=O)CCOCC2
InChI:	InChI=1S/C10H16O2/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h1-8H2
InChI Key:	OOKHKTHERWWYQI-UHFFFAOYSA-N
References:	Dreyer, A., et al. PCT Int. Appl. WO 2010139717, 185, (2010).

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Related Functional Groups

Other Building Blocks

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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

Publication Number	Title	Priority Date
EP-2438067-A1	New compounds	20090605
EP-2438067-B1	Spirolactams as cgrp-antagonists	20090605
JP-2012528827-A	New compounds	20090605
JP-5449540-B2	New compounds	20090605
US-2012196872-A1	New 5-alkynyl-pyridines	20090605
US-8765763-B2	Substituted piperazines as CGRP antagonists	20090605
WO-2010139717-A1	New compounds	20090605
AU-2005202180-A1	New pyrrolidine and thiazolidine compounds, a process for their preparation and pharmaceutical compositions containing them	20040519
AU-2005202180-B2	New pyrrolidine and thiazolidine compounds, a process for their preparation and pharmaceutical compositions containing them	20040519
CA-2506491-C	Novel derivatives of pyrrolidines and thiazolidines, process for preparing them and pharmaceutical compositions containing them	20040519

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.115029749
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.115029749
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9