| Identification | Back Directory | [Name]
7-CHLORO-1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE | [CAS]
160129-45-3 | [Synonyms]
Tovaptan impurity 29
Tovaptan impurity 24
Tolvaptan Impurity 29
7-Chlorobenzo[b]azepan-5-one
7-chloro-2,3,4,5-tetrahydro-
7-chloro-1,2,3,4-tetrahydrobenzo [b] aza-5-one
7-chloro-1,2,3,4-tetrahydro-1-benzazepin-5-one
7-chloro-1, 2, 3, 4-benzo [b] AZA Zhuo-5-ketone
7-CHLORO-1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE
7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepine-5-One
7-CHLORO-1,2,3,4-TERTRAHYDROBENZO(B) AZEPIN-5-ONE
7-Chloro-1,2,3,4-tetrahydro-5H-1-benzozepin-5-one
7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one
7-chloro-3,4-dihydro-1H-benzo[b]azepin-5(2H)-ones
5H-1-Benzazepin-5-one,7-chloro-1,2,3,4-tetrahydro-
7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine
7-chloro-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one
7-Chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one >
7-Chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one | [EINECS(EC#)]
690-079-3 | [Molecular Formula]
C10H10ClNO | [MDL Number]
MFCD06738694 | [MOL File]
160129-45-3.mol | [Molecular Weight]
195.65 |
| Chemical Properties | Back Directory | [Melting point ]
103.0 to 107.0 °C | [Boiling point ]
356.5±41.0 °C(Predicted) | [density ]
1.234±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
2.36±0.20(Predicted) | [color ]
Off-White to Pale Yellow | [InChI]
InChI=1S/C10H10ClNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,12H,1-2,5H2 | [InChIKey]
AHESNFIUAHTYGS-UHFFFAOYSA-N | [SMILES]
N1C2=CC=C(Cl)C=C2C(=O)CCC1 |
| Hazard Information | Back Directory | [Chemical Properties]
White Solid | [Uses]
7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one is an intermediate in the synthesis of 7-Chloro-5-hydroxy-1-[2-methyl-4-(2-methylbenzoyl-amino)benzoyl]-2,3,4,5 -tetrahydro-1H-1-benzazepine (OPC-41061)
, an orally active nonpeptide arginine vasopressin V2 receptor antagonist | [Synthesis]
The synthetic method of 7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one comprises the following steps: carrying out an acylation reaction between 4-chloroaniline and succinic anhydride to obtain 4-(4-chloroaniline)-4-oxobutyric acid; carrying out an intramolecular Friedel-Craft reaction on 4-(4-chloroaniline)-4-oxobutyric acid to obtain 7-chloro-3,4-tetrahydrobenzo[b]azepine-2,5-one; reacting 7-chloro-3,4-tetrahydrobenzo[b]azepine-2,5-one with ethylene glycol to obtain 7-chloro-3,4-tetrahydrobenzo[b]azepine-2-one-5-glycol ketal; reducing 7-chloro-3,4-tetrahydrobenzo[b]azepine-2-one-5-glycol ketal, and carrying out de-ketalation under an acidic condition to obtain 7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one.
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