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 |
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