1-Tosyl-1,2,3,4-tetrahydrobenzo[b]azepin-5-one - CAS 24310-36-9
Catalog: |
BB018406 |
Product Name: |
1-Tosyl-1,2,3,4-tetrahydrobenzo[b]azepin-5-one |
CAS: |
24310-36-9 |
Synonyms: |
1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one; 1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one |
IUPAC Name: | 1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one |
Description: | 1-Tosyl-1,2,3,4-tetrahydrobenzo[b]azepin-5-one (CAS# 24310-36-9) is an intermediate used to prepare nonpeptide vasopressin V2 receptor antagonist tetrahydro-1H-benzazepines. It is also used to synthesize 4'-[(4,4-difluoro-5-methylidene-2,3,4,5-tetrahydro-1H-1-benzoazepin-1-yl)carbonyl]-2-phenylbenzanilide derivatives as non-peptide arginine vasopressin antagonists for both V1A and V2 receptors. |
Molecular Weight: | 315.39 |
Molecular Formula: | C17H17NO3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=O)C3=CC=CC=C32 |
InChI: | InChI=1S/C17H17NO3S/c1-13-8-10-14(11-9-13)22(20,21)18-12-4-7-17(19)15-5-2-3-6-16(15)18/h2-3,5-6,8-11H,4,7,12H2,1H3 |
InChI Key: | OTPIOAHUBNERHE-UHFFFAOYSA-N |
Boiling Point: | 489.7 °C at 760 mmHg |
Density: | 1.286 g/cm3 |
MDL: | MFCD00795994 |
LogP: | 4.31260 |
Publication Number | Title | Priority Date |
US-2019002479-A1 | Heterocyclic compounds as rsv inhibitors | 20170630 |
US-11091501-B2 | Heterocyclic compounds as RSV inhibitors | 20170630 |
JP-2016185993-A | Process for producing 1-benzoyl-5-oxo-2,3,4,5-tetrahydro-1H-benzo [b] azepine-4-carboxylic acid ester | 20160802 |
US-2017226129-A1 | Heterocyclic compounds as rsv inhibitors | 20160115 |
US-2019040084-A1 | Heterocyclic compounds as rsv inhibitors | 20160115 |
Complexity: | 503 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.09291458 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.09291458 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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