137973-76-3

Basic information

• Product Name: N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide
• Synonyms: N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide;7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine;N-(4-(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbe;5-Dehydro Tolvaptan;N-(4-(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-Methylphenyl)-2-MethylbenzaMide;Dehydrotolvaptan;N-[4-[7-Chloro-2,3,4,5-Tetrahydro-5-oxo-1H-1-Benzazepine-1-yl)carbonyl]-3-MethylPhenyl]-2-MethylBenzamide;N-[4-(7-chloro-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
• CAS NO: 137973-76-3
• Molecular Formula: C₂₆H₂₃ClN₂O₃
• Molecular Weight: 446.93
• EINECS: 1312995-182-4
• Product Categories: Tolvaptan intermediate
• Mol File: 137973-76-3.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 593.224 °C at 760 mmHg
• Flash Point: 312.571 °C
• Appearance: /
• Density: 1.307
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 12.97±0.70(Predicted)
• CAS DataBase Reference: N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide(137973-76-3)
• EPA Substance Registry System: N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide(137973-76-3)

Safety Data

• Hazardous Substances Data: 137973-76-3(Hazardous Substances Data)

Usage

Description

N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide is a complex organic compound with a molecular structure characterized by a benzamide core, a chlorinated benzazepin moiety, and methyl groups attached to the phenyl rings. N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide is likely to have specific applications in various industries due to its unique chemical properties.

Uses

Used in Pharmaceutical Industry:
N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide is used as an active pharmaceutical ingredient for the treatment of various medical conditions. Its specific application reason is due to its interaction with biological targets, such as receptors or enzymes, which can modulate physiological processes and provide therapeutic benefits.
Used in Chemical Research:
In the field of chemical research, N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide can be used as a starting material or a synthetic intermediate for the development of new compounds with potential applications in various industries, including pharmaceuticals, agrochemicals, and materials science.
Used in Drug Synthesis:
N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide is used as a key intermediate in the synthesis of various drugs, particularly those targeting the central nervous system or cardiovascular system. Its application reason is based on its structural similarity to known pharmacophores and its potential to be modified to improve drug efficacy, safety, or pharmacokinetic properties.

Upstream product

• 933-88-0 ortho-toluoyl chloride 
• 137977-97-0 1-(4-amino-2-methylbenzoyl)-7-chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine 
• 2516-95-2 5-chloro-2-nitrobenzoic acid 
• 30459-70-2 2-methyl-4-nitrobenzoyl chloride 
• 1975-51-5 2-methyl-4-nitrobenzoic acid 
• 51282-49-6 methyl 5-chloro-2-nitrobenzoate 
• 21900-45-8 4-bromo-2-methylbenzoyl chloride 
• 68837-59-2 4-bromo-2-methylbenzoic acid 
• 118-90-1 ortho-methylbenzoic acid 
• 527-85-5 o-Methylbenzamid 
• 317374-08-6 2-methyl-4-(2-methylbenzoylamino)benzoic acid 
• 160129-45-3 7-chloro-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one 
• 331947-69-4 2-methyl-4-(2-methylbenzoylamino)benzoic acid chloride 
• 7149-70-4 2-bromo-5-nitrotoluene 

Downstream Products

• 150683-30-0 tolvaptan 
• 331947-66-1 (+)-Tolvaptan 
• 331947-44-5 (-)-Tolvaptan 
• 1296212-17-3 N-(4-(7-chloro-5-hydroxy-2,3,4-trihydro-5-deutero-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide 
• 165310-94-1 5-ethoxy-carbonylmethylidene-7-chloro-1-[2-methyl-4-(2-methylbenzoyl-amino)benzoyl]-2,3,4,5-tetrahydro-1H-benzoazepine 

Relevant articles and documents

Efficient and promising asymmetric preparation of enantiopure tolvaptan via transfer hydrogenation with robust catalysts

Enantiopure tolvaptan, the first and only oral vasopressin antagonist for hyponatremia has been prepared by using an asymmetric transfer hydrogenation as a key step with HCOOH-Et3N or HCOONa-H2O as the hydrogen donor in open air. Good chemical yields with up to 99% enantioselectivity were obtained with a 1000:1 of S/C in an HCOONa-H2O system. The air and water stable catalysts provide a very promising prospect for industrial application.

INTERMEDIATES AND METHODS FOR THE PREPARATION OF TOLVAPTAN AND ITS DERIVATIVES

The present invention relates to new intermediates for the synthesis of tolvaptan and its derivatives, as well as a method for its preparation involving said intermediates.

Novel benzoazepine compound, composition and applications of novel benzoazepine compound and composition

The invention relates to a novel benzoazepine compound, which comprises a pharmaceutically acceptable salt thereof. The invention also provides a pharmaceutical composition containing the compound and the pharmaceutically acceptable salt thereof. The pres

Method for preparing high-purity tolvaptan intermediate

The invention provides a method for preparing a high-purity tolvaptan intermediate, and concretely provides a method for purifying a tolvaptan intermediate N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepine-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide (formula II). A crude product containing the compound of formula II is recrystallized by an organic solvent composed of ester, haloalkaneand ether to preferably obtain the compound of formula II, having a purity of above 99.00%.