137982-91-3

Basic information

• Product Name: 7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one
• Synonyms: 7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one;Tolvaptan InterMediates;7-chloro-1-(2-Methyl-4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one;1H-benzo[b]azepine;7-Chloro-1,2,3,4-Tetrahydro-1-(2-Methyl-4-Nitrobenzoyl)-5H-1-Benzazepine-5-One;7-chloro-1-(2-methyl-4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one;7-chloro-1-(2-methyl-4-nitrobenzoyl)-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one
• CAS NO: 137982-91-3
• Molecular Formula: C₁₈H₁₅ClN₂O₄
• Molecular Weight: 358.78
• EINECS: 1592732-453-0
• Product Categories: Pharmaceutical Intermediates
• Mol File: 137982-91-3.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 573.345 °C at 760 mmHg
• Flash Point: 300.548 °C
• Appearance: /
• Density: 1.387
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: -2.58±0.20(Predicted)
• CAS DataBase Reference: 7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one(CAS DataBase Reference)
• NIST Chemistry Reference: 7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one(137982-91-3)
• EPA Substance Registry System: 7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one(137982-91-3)

Safety Data

• Hazardous Substances Data: 137982-91-3(Hazardous Substances Data)

Usage

Description

7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one is a complex organic compound with a molecular structure that features a benzazepinone core, a chloro substituent, and a nitrobenzoyl group. It is characterized by its potential applications in the pharmaceutical industry, particularly as an intermediate in the synthesis of specific drugs.

Uses

Used in Pharmaceutical Industry:
7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one is used as an intermediate in the synthesis of Tolvaptan-d7 (T536652), a labelled version of Tolvaptan (T536650). 7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one serves as a selective, competitive arginine vasopressin V2 receptor antagonist, which is utilized in the treatment of hyponatremia (low blood sodium levels) associated with various medical conditions such as congestive heart failure, cirrhosis, and the syndrome of inappropriate antidiuretic hormone (SIADH). Its role in the synthesis process is crucial for the development of effective treatments for these conditions.

Upstream product

• 30459-70-2 2-methyl-4-nitrobenzoyl chloride 
• 160129-45-3 7-chloro-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one 
• 5202-89-1 4-chlorobenzenesulfonyl chloride 
• 2516-95-2 5-chloro-2-nitrobenzoic acid 
• 201230-82-2 carbon monoxide 
• 7149-70-4 2-bromo-5-nitrotoluene 
• 106-47-8 4-chloro-aniline 
• 247237-43-0 methyl 5-chloro-2-[N-(3-ethoxycarbonyl)propyl-N-p-toluenesulfonyl]aminobenzoate 
• 193686-76-9 7-chloro-1-(4-methylbenzenesulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one 
• 247237-38-3 N-p-toluenesulfonyl-5-chloro-anthranilic acid methyl ester 
• 51282-49-6 methyl 5-chloro-2-nitrobenzoate 
• 1975-51-5 2-methyl-4-nitrobenzoic acid 

Downstream Products

• 137973-76-3 MOP-21826 
• 150683-30-0 tolvaptan 
• 137977-97-0 1-(4-amino-2-methylbenzoyl)-7-chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine 
• 331947-66-1 (+)-Tolvaptan 

Relevant articles and documents

IMPROVED METHODS OF PRODUCING SYNTHETIC INTERMEDIATES OF TOLVAPTAN

PROBLEM TO BE SOLVED: To provide improved methods of producing 7-chloro-1-(2-methyl-4-nitrobenzoyl)-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine. SOLUTION: The present invention provides methods of producing 7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine and 7-chloro-1-(2-methyl-4-nitrobenzoyl)-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine, which are synthetic intermediates of tolvaptan, by condensing an amino group and a carboxyl group in the presence of magnesium hydroxide. SELECTED DRAWING: None COPYRIGHT: (C)2018,JPOandINPIT

Preparation method of high-efficiency low-toxicity pitressin antagonist

The invention provides a preparation method of a high-efficiency low-toxicity pitressin antagonist. Specifically, the invention provides a compound having the formula A shown in the description, and a method for preparing tolvaptan through the compound having the formula A. All groups in the formula are defined in the description. The method has advantages of environmental protection, available raw materials, and high overall yield, and is suitable for industrial preparation of tolvaptan.

Preparation method for cardiovascular disease treatment drug

The invention provides a preparation method for a cardiovascular disease treatment drug. Specifically, the invention provides a compound represented by a formula (IV) shown in the description and a method for preparing Tolvaptan from the compound represented by the formula (IV). The method provided by the invention has the advantages of being environment-friendly, being easy in raw material obtaining and high in total yield, and the like, thereby being applicable to the industrialized preparation of Tolvaptan.