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 |
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 |
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 |
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