ChemicalBook > Product Catalog >Organic Chemistry >Amides >Amino compound >5-Dehydro Tolvaptan

5-Dehydro Tolvaptan

5-Dehydro Tolvaptan Structure
CAS No.
137973-76-3
Chemical Name:
5-Dehydro Tolvaptan
Synonyms
Dehydrotolvaptan;5-Dehydro Tolvaptan;Tolvaptan Intermediate;Tolvaptan 5-Oxo Analog;Tolvaptan impurity 5 (DM-21826);7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-5-ox...;N-(4-(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methy;N-[4-(7-chloro-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide;N-(4-(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbe;7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine
CBNumber:
CB72500620
Molecular Formula:
C26H23ClN2O3
Molecular Weight:
446.93
MOL File:
137973-76-3.mol
MSDS File:
SDS
Modify Date:
2024/3/7 9:17:34

5-Dehydro Tolvaptan Properties

Melting point >118°C (dec.)
Boiling point 593.2±50.0 °C(Predicted)
Density 1.307
storage temp. Sealed in dry,Room Temperature
solubility DMSO (Slightly), Methanol (Slightly)
form Solid
pka 12.97±0.70(Predicted)
color White to Off-White
InChIKey VENGMROMZOKURN-UHFFFAOYSA-N
SMILES C(NC1=CC=C(C(N2C3=CC=C(Cl)C=C3C(=O)CCC2)=O)C(C)=C1)(=O)C1=CC=CC=C1C

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H413
Precautionary statements  P501-P273-P270-P264-P301+P312+P330

5-Dehydro Tolvaptan Chemical Properties,Uses,Production

Preparation

To a 3 L reactor was added 1- (4-amino-2-methylbenzoyl) -7-chloro-5-oxo-2,3,4,5-tetrahydro- 1 H- 1 -benzazepine (70. 0 g, 212.90 mmol), dichloromethane (560 ml) and distilled water (140 ml), and the mixture was stirred for 1 hour. Magnesium hydroxide (14.90 g, 14.90 mmol) was added to the reaction mixture at 10 ° C. or lower, and the mixture was stirred for 30 minutes. 2-Methylbenzoyl chloride (30.42 ml) was gradually added to the reaction mixture, stirring for 3 hours. The reaction mixture was filtered to remove magnesium hydroxide, and the pH of the reaction mixture was adjusted to pH 8 to 9 using an aqueous sodium hydroxide solution, and then the organic layer was separated. The obtained organic layer was dried with sodium sulfate (Na 2 SO 4), filtered, and concentrated under reduced pressure to give 5-Dehydro Tolvaptan (yield: 96 percent).

5-Dehydro Tolvaptan Preparation Products And Raw materials

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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 N-(4-(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methy Tolvaptan Intermediate Tolvaptan impurity 5 (DM-21826) Tolvaptan 5-Oxo Analog Benzamide, N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methyl- N-[4-(7-chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide 7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-5-ox... N-[4-[(7- chloro -2,3,4,5- tetrahydro -5- oxo -1H-1- benzoazepine -1- yl) carbonyl ]-3- methylphenyl ]-2- methylbenzamide * N-[4-[(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide 137973-76-3 Tolvaptan intermediate