2-Boc-hexahydro-1H-isoindol-4(2H)-one - CAS 879687-92-0

Catalog:	BB038705
Product Name:	2-Boc-hexahydro-1H-isoindol-4(2H)-one
CAS:	879687-92-0
Synonyms:	7-oxo-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylic acid tert-butyl ester; tert-butyl 7-oxo-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 7-oxo-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate
Description:	2-Boc-hexahydro-1H-isoindol-4(2H)-one (CAS# 879687-92-0) is a useful research chemical compound.
Molecular Weight:	239.31
Molecular Formula:	C13H21NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CC2CCCC(=O)C2C1
InChI:	InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-7-9-5-4-6-11(15)10(9)8-14/h9-10H,4-8H2,1-3H3
InChI Key:	SGPWUVURFSJYQO-UHFFFAOYSA-N
Appearance:	Solid
LogP:	2.16040

Publication Number	Title	Priority Date
WO-2019040106-A2	COMPOUNDS, RELATED SALTS AND METHODS FOR THE TREATMENT OF DISEASES	20170821
EP-2650284-A1	Heterocyclic derivatives as metabotropic glutamate receptor modulators	20120410
EP-1796663-B1	Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators	20040903
JP-2008512377-A	Tricyclic heteroaryl piperazine, pyrrolidine and azetidine compounds as serotonin receptor modulators	20040903
JP-4960235-B2	Tricyclic heteroaryl piperazine, pyrrolidine and azetidine compounds as serotonin receptor modulators	20040903

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[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
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Complexity:	332
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.15214353
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.15214353
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3