8-Boc-8-azaspiro[4.5]decan-1-one - CAS 191805-29-5

Catalog:	BB014841
Product Name:	8-Boc-8-azaspiro[4.5]decan-1-one
CAS:	191805-29-5
Synonyms:	4-oxo-8-azaspiro[4.5]decane-8-carboxylic acid tert-butyl ester; tert-butyl 4-oxo-8-azaspiro[4.5]decane-8-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-oxo-8-azaspiro[4.5]decane-8-carboxylate
Description:	8-Boc-8-azaspiro[4.5]decan-1-one (CAS# 191805-29-5) is a useful research chemical.
Molecular Weight:	253.34
Molecular Formula:	C14H23NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC2(CCCC2=O)CC1
InChI:	InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-9-7-14(8-10-15)6-4-5-11(14)16/h4-10H2,1-3H3
InChI Key:	VFNVAGFIJXCMPA-UHFFFAOYSA-N
LogP:	2.69460

Publication Number	Title	Priority Date
WO-2020081848-A1	Protein tyrosine phosphatase inhibitors	20181017
EP-3867238-A1	Protein tyrosine phosphatase inhibitors	20181017
WO-2020061101-A1	Tri-substituted heteroaryl derivatives as src homology-2 phosphatase inhibitors	20180918
KR-20210060556-A	3-substituted heteroaryl derivatives as SRC homology-2 phosphatase inhibitors	20180918
WO-2020015735-A1	Bruton tyrosine kinase inhibitors	20180720

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	349
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.16779360
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	253.16779360
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6