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7-Boc-1,1-dichloro-7-azaspiro[3.5]nonan-2-one

7-Boc-1,1-dichloro-7-azaspiro[3.5]nonan-2-one - CAS 396653-31-9

Name: 7-Boc-1,1-dichloro-7-azaspiro[3.5]nonan-2-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024081
Product Name:	7-Boc-1,1-dichloro-7-azaspiro[3.5]nonan-2-one
CAS:	396653-31-9
Synonyms:	3,3-dichloro-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester; tert-butyl 3,3-dichloro-2-oxo-7-azaspiro[3.5]nonane-7-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3,3-dichloro-2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
Description:	7-Boc-1,1-dichloro-7-azaspiro[3.5]nonan-2-one (CAS# 396653-31-9 ) is a useful research chemical.
Molecular Weight:	308.20
Molecular Formula:	C13H19Cl2NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C2(Cl)Cl
InChI:	InChI=1S/C13H19Cl2NO3/c1-11(2,3)19-10(18)16-6-4-12(5-7-16)8-9(17)13(12,14)15/h4-8H2,1-3H3
InChI Key:	HCDVZVFIKWCHOV-UHFFFAOYSA-N
LogP:	3.08830

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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US-2019002452-A1	Fxr receptor modulator, preparation method therefor, and uses thereof	20160106
WO-2017118294-A1	Fxr receptor modulator, preparation method therefor, and uses thereof	20160106
AU-2012324803-A1	(hetero)aryl cyclopropylamine compounds as LSD1 inhibitors	20111020
AU-2017254889-B2	(hetero)aryl cyclopropylamine compounds as lsd1 inhibitors	20111020

Complexity:	407
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	307.0741988999999
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	307.0741988999999
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4