247237-38-3

Basic information

• Product Name: 5-Chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester
• Synonyms: 5-Chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester
• CAS NO: 247237-38-3
• Molecular Formula: C₁₅H₁₄ClNO₄S
• Molecular Weight: 339.79396
• Mol File: 247237-38-3.mol
• Article Data: 8

Chemical Properties

• Melting Point: 115℃
• Boiling Point: 483.9 °C at 760 mmHg
• Flash Point: 246.5 °C
• Appearance: /
• Density: 1.39
• Vapor Pressure: 1.61E-09mmHg at 25°C
• Refractive Index: 1.607
• PKA: 7.42±0.10(Predicted)
• CAS DataBase Reference: 5-Chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester(247237-38-3)
• EPA Substance Registry System: 5-Chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester(247237-38-3)

Safety Data

• Hazardous Substances Data: 247237-38-3(Hazardous Substances Data)

Usage

Uses

Methyl 5-Chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoate is a reactant used in the synthesis of Tolvaptan (T536650) and its intermediates. Tolvaptan is a nonpeptide arginine vasopressin (AVP) V2 receptor antagonist.

InChI:InChI=1/C15H14ClNO4S/c1-10-3-6-12(7-4-10)22(19,20)17-14-8-5-11(16)9-13(14)15(18)21-2/h3-9,17H,1-2H3

Upstream product

• 51282-49-6 methyl 5-chloro-2-nitrobenzoate 
• 2516-95-2 5-chloro-2-nitrobenzoic acid 
• 635-21-2 5-chloroanthranilic acid 
• 5202-89-1 4-chlorobenzenesulfonyl chloride 
• 98-59-9 p-toluenesulfonyl chloride 

Downstream Products

• 23829-73-4 4'-chloro-2'-methoxycarbonyl-N-methyl-p-toluenesulfonanilide 
• 304912-28-5 4'-chloro-N-isopropyl-2'-methoxycarbonyl-p-toluenesulfonanilide 
• 154890-90-1 5-(N-allylamino)-7-chloro-1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1H-1-benzazepine 
• 247237-98-5 7-chloro-1-[3-chloro-4-[(2-methylbenzoyl)amino]benzoyl]-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine 
• 137978-52-0 7-chloro-1-[3-methoxy-4-[(2-methylbenzoyl)amino]benzoyl]-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine 
• 137974-15-3 7-chloro-1-[2-methoxy-4-[(2-methylbenzoyl)amino]benzoyl]-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine 
• 137973-76-3 MOP-21826 
• 137973-86-5 7-chloro-1-[2-chloro-4-[(2-methylbenzoyl)amino]benzoyl]-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine 
• 137973-34-3 7-chloro-5-(N-methylamino)-1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1H-1-benzazepine 
• 137977-35-6 7-chloro-1-[4-[(2-methylbenzoyl)amino]benzoyl]-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine 

Relevant articles and documents

Iodine(III) Reagent-Mediated Intramolecular Amination of 2-Alkenylanilines to Prepare Indoles

A variety of 3-substituted and 2,3-disubstituted indoles were synthesized efficiently in good yields through the intramolecular amination of 2-alkenylanilines promoted by readily available iodine(III) reagents in a short reaction time. Mechanistic studies showed that the reaction pathway went through a nitrenium ion and that 3-acetoxy indoline was the key intermediate in the indole formation. The indole product was easily prepared on a gram scale and amination also proceeded smoothly using catalytic 3,5-dimethylphenyl iodine in the presence of mCPBA. Furthermore, the indolo[3,2-a]carbazole scaffold was prepared in good yield in six steps from commercial ortho-iodoaniline. (Figure presented.).

PROCESS FOR PREPARING TOLVAPTAN INTERMEDIATES

The present invention provides a novel process for the preparation of 7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one. The present invention also provides an improved process for the preparation of 7-chloro-1-(2-methyl-4-nitrobenzoyl)-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine. The present invention further provides an improved process for the preparation of 7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine.

Sulfonamide derivatives

The present invention relates to microbicides for agricultural or horticultural use containing a sulfonamide derivative.