7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one Chemical Properties

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. 

2-8°C(protect from light)

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

Safety Information

Hazard Codes 

T

Risk Statements 

25

Safety Statements 

45

HS Code 

2933998090

7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one Usage And Synthesis

Chemical Properties

White Solid

Uses

7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one is an intermediate in the synthesis of Tolvaptan (T536650) (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.

7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one(160129-45-3)Related Product Information

• 2-Methyl-4-nitrobenzoic acid
• Tolvaptan Impurity 30
• 7-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one
• Tolvaptan Impurity 17
• Tolvaptan impurity 2
• Tolvaptan Impurity 20
• Tolvaptan Impurity 15
• Tolvaptan Impurity 11
• Tolvaptan Impurity 26
• 6-CHLORO-1H-BENZIMIDAZOLE
• 6-Chloro-2-benzoxazolethiol
• 5-Dehydro Tolvaptan
• 7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one
• 1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
• 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one
• 2,3,4,5-Tetrahydro-1H-benzo[b]azepine
• 7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one
• 7-CHLORO-9-METHOXY-1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE