100627-39-2

Basic information

• Product Name: METHYL 2-[(3-ETHOXYCARBONYL-PROPYL)-(TOLUENE-4-SULFONYL)-AMINO]-BENZOATE
• Synonyms: METHYL 2-[(3-ETHOXYCARBONYL-PROPYL)-(TOLUENE-4-SULFONYL)-AMINO]-BENZOATE;2-[(4-Ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester;N-(3-Carboxypropyl)-N-(p-tolylsulfonyl)anthranilic acid N-ethyl 1-methyl ester;Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-MethylphenylsulfonaMido)benzoate;2-[(3-Ethoxycarbonyl-propyl)-(toluene-4-sulfonyl)-aMino]-benzoicacidMethylester;-4-methylphenylsulfonamido);Methyl 2-(N-(4-ethoxy-4-oxobutyl);methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate(WXC02961)
• CAS NO: 100627-39-2
• Molecular Formula: C₂₁H₂₅NO₆S
• Molecular Weight: 419.49
• Mol File: 100627-39-2.mol
• Article Data: 4

Chemical Properties

• Melting Point: 98-100℃
• Appearance: /
• Density: 1.24
• CAS DataBase Reference: METHYL 2-[(3-ETHOXYCARBONYL-PROPYL)-(TOLUENE-4-SULFONYL)-AMINO]-BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-[(3-ETHOXYCARBONYL-PROPYL)-(TOLUENE-4-SULFONYL)-AMINO]-BENZOATE(100627-39-2)
• EPA Substance Registry System: METHYL 2-[(3-ETHOXYCARBONYL-PROPYL)-(TOLUENE-4-SULFONYL)-AMINO]-BENZOATE(100627-39-2)

Safety Data

• Hazardous Substances Data: 100627-39-2(Hazardous Substances Data)

Usage

General Description

Methyl 2-[(3-ethoxycarbonyl-propyl)-(toluene-4-sulfonyl)-amino]-benzoate is a chemical compound with the molecular formula C21H25NO6S. It is a derivative of benzoic acid and contains a toluene-4-sulfonyl group, an ethoxycarbonyl propyl group, and an amino group. METHYL 2-[(3-ETHOXYCARBONYL-PROPYL)-(TOLUENE-4-SULFONYL)-AMINO]-BENZOATE is commonly used in organic chemical synthesis, pharmaceutical research, and as a reagent in various chemical reactions. It has potential applications in the development of new drugs and pharmaceuticals due to its unique chemical structure and properties. Safety precautions should be taken when handling this chemical, as it may have hazardous properties.

Upstream product

• 2969-81-5 Ethyl 4-bromobutyrate 
• 98-59-9 p-toluenesulfonyl chloride 
• 134-20-3 2-carbomethoxyaniline 
• 27126-43-8 N-(3-ethoxycarbonyl-propyl)-anthranilic acid methyl ester 
• 50998-74-8 methyl N-tosylanthranilate 

Downstream Products

• 24310-36-9 1-tosyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one 
• 101730-78-3 N-(3-carboxy-propyl)-N-(toluene-4-sulfonyl)-anthranilic acid 
• 1261275-80-2 C₃₃H₃₁N₃O₃S 
• 1261275-78-8 C₃₂H₂₉N₅O₃S 
• 1261275-76-6 C₃₄H₂₇N₃O₃S₂ 
• 1261275-72-2 C₃₃H₂₉F₂N₅O₃S 
• 1261275-70-0 C₃₆H₂₈FN₃O₃S 
• 1261275-68-6 C₃₂H₂₇F₂N₅O₃S 
• 1261275-65-3 C₂₉H₂₃BrN₄O₃S 
• 1261275-61-9 C₃₄H₃₂N₄O₃S 
• 1261275-59-5 C₃₀H₂₄IN₃O₃S 
• 1261275-57-3 C₂₉H₂₃BrN₄O₃S 
• 1261277-27-3 C₂₉H₂₃BrN₄O₃S 
• 1261277-25-1 C₂₉H₂₄ClN₅O₃S 

Relevant articles and documents

Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure

The syn (aR?,5R?) and anti (aS?,5R?) diastereomers of N-benzoyl-C5-substituted-1-benzazepines originating in the chiralities at C5 and the Ar-N(C=O) axis were first stereoselectively synthesized by biasing the conformation with a substituent at C6 and C9, respectively. Detailed examination of the stereochemistry (i.e., conformation and configuration) of these N-benzoyl-1-benzazepines by X-ray crystallographic analysis, VT NMR, and DFT calculations revealed new physicochemical aspects of these heterocycles including revision of the stereochemistry previously reported.

VASOPRESSIN V1A ANTAGONISTS

The present invention concerns compounds inter alia according to general formula 1a. Compounds according to the invention are vasopressin V 1a receptor antagonists. Pharmaceutical compositions of the compounds are useful as treatment of dysmenorrhoea.