1H-Benzo[d]azepin-2(3H)-one - CAS 19301-09-8

Catalog:	BB014918
Product Name:	1H-Benzo[d]azepin-2(3H)-one
CAS:	19301-09-8
Synonyms:	1,3-dihydro-3-benzazepin-2-one; 1,3-dihydro-3-benzazepin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	1,3-dihydro-3-benzazepin-2-one
Description:	1H-Benzo[d]azepin-2(3H)-one (CAS# 19301-09-8) is used as a reactant in the synthesis of 7-sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists.
Molecular Weight:	159.18
Molecular Formula:	C10H9NO
Canonical SMILES:	C1C2=CC=CC=C2C=CNC1=O
InChI:	InChI=1S/C10H9NO/c12-10-7-9-4-2-1-3-8(9)5-6-11-10/h1-6H,7H2,(H,11,12)
InChI Key:	WUYVQJOTPXVUIS-UHFFFAOYSA-N
LogP:	1.60550

Publication Number	Title	Priority Date
WO-2017138017-A1	Process for the preparation of benzazepine-2-one derivative	20160210
US-2016107998-A1	A process for preparing ivabradine	20130522
US-9809554-B2	Process for preparing ivabradine	20130522
MX-2013013766-A	NEW PROCEDURE FOR SYNTHESIS OF 3- (2-BROMO-4,5-DIMETOXIFENIL) PROPANONITRILE, AND APPLICATION TO THE SYNTHESIS OF IVABRADINE AND ITS ADDITION SALTS TO A PHARMACEUTICALLY ACCEPTABLE ACID.	20121206
EA-025533-B1	Industrial process for the synthesis of ivabradine salts	20100507

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
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[89908-23-6]
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[87-88-7]
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[17746-05-3]
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[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

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Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.068413911
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.068413911
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3