5-Boc-5-azaspiro[2.5]octan-8-one - CAS 143306-64-3

Catalog:	BB009547
Product Name:	5-Boc-5-azaspiro[2.5]octan-8-one
CAS:	143306-64-3
Synonyms:	8-oxo-5-azaspiro[2.5]octane-5-carboxylic acid tert-butyl ester; tert-butyl 8-oxo-5-azaspiro[2.5]octane-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 8-oxo-5-azaspiro[2.5]octane-5-carboxylate
Description:	5-Boc-5-azaspiro[2.5]octan-8-one (CAS# 143306-64-3) is a reagent used in the preparation of 2,3-oxidosqualene cyclase inhibitors.
Molecular Weight:	225.28
Molecular Formula:	C12H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(=O)C2(C1)CC2
InChI:	InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-7-4-9(14)12(8-13)5-6-12/h4-8H2,1-3H3
InChI Key:	IEHDYRJCLKTFQY-UHFFFAOYSA-N
Appearance:	Solid
LogP:	1.91440

Publication Number	Title	Priority Date
WO-2020198583-A1	Bicyclic jak inhibitors and uses thereof	20190327
KR-20210102285-A	Use as pharmaceutical compounds and inhibitors of ubiquitin-specific protease 19 (USP19)	20181206
WO-2020041100-A1	Novel aryloxypiperidine pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors	20180822
US-2020061041-A1	Piperidinyl-3-(aryloxy)propanamides and propanoates	20180301
WO-2019169153-A1	Piperidinyl-3-(aryloxy)propanamides and propanoates	20180301

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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

Complexity:	326
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.13649347
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.13649347
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9