65444-05-5

Basic information

• Product Name: Ethanethioic acid, S-[3-chloro-3-oxo-2-(phenylmethyl)propyl] ester
• CAS NO: 65444-05-5
• Molecular Formula: C12H13ClO2S
• Molecular Weight: 256.753
• Mol File: 65444-05-5.mol
• Article Data: 12

Chemical Properties

• CAS DataBase Reference: Ethanethioic acid, S-[3-chloro-3-oxo-2-(phenylmethyl)propyl] ester(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanethioic acid, S-[3-chloro-3-oxo-2-(phenylmethyl)propyl] ester(65444-05-5)
• EPA Substance Registry System: Ethanethioic acid, S-[3-chloro-3-oxo-2-(phenylmethyl)propyl] ester(65444-05-5)

Safety Data

• Hazardous Substances Data: 65444-05-5(Hazardous Substances Data)

Upstream product

• 5669-19-2 2-Benzyl-2-propenoic acid 
• 507-09-5 tiolacetic acid 
• 116111-79-6 (R)-3-(acetylthio)-2-benzylpropanoic acid 
• 616-75-1 2-benzylmalonic acid 
• 607-81-8 diethyl 2-benzylmalonate 
• 91702-98-6 3-acetylthio-2-benzylpropanoic acid 

Downstream Products

• 116112-38-0 Sodium; 2-(2-acetylsulfanylmethyl-3-phenyl-propionylamino)-benzenesulfonate 
• 116111-88-7 N-<3-(acetylthio)-2-benzylpropionyl>taurine sodium salt 
• 116111-78-5 Sodium; 2-[(2-acetylsulfanylmethyl-3-phenyl-propionyl)-methyl-amino]-ethanesulfonate 
• 116112-33-5 Sodium; 3-(2-acetylsulfanylmethyl-3-phenyl-propionylamino)-propane-1-sulfonate 
• 116111-90-1 Sodium; (2-acetylsulfanylmethyl-3-phenyl-propionylamino)-methanesulfonate 
• 116112-37-9 Sodium; 3-(2-acetylsulfanylmethyl-3-phenyl-propionylamino)-benzenesulfonate 
• 81110-73-8 racecadotril 
• 123985-34-2 N-[2-acetylthiomethyl-3-phenyl-propionyl]-3-aminobenzoic acid 

Relevant articles and documents

Method for preparing racecadotril through one-pot process

The invention belongs to the technical field of drug synthesis, and particularly relates to a method for preparing racecadotril through a one-pot process. The method comprises the followings steps: firstly, adding 2-benzyl-3-ethanethioyl crylic acid, orga

Structural studies of racecadotril and its process impurities by NMR and mass spectroscopy

Three unknown impurities in racecadotril bulk drug at levels below 0.5% were detected by simple reverse phase isocratic high performance liquid chromatography (HPLC). Structures for these impurities were proposed by molecular ion information and their fragmentation pattern obtained by LC-MS and these impurities were confirmed by NMR spectroscopy. The impurities I, II and III were characterized as benzyl 2-methyl carboximido acetate, benzyl 2-phenyl ethyl carboximido acetate, and benzyl 2-(1-benzyl vinyl carboximido) acetate. These structures were further confirmed by co-injecting of synthetic standards of impurities with racecadotril. The mechanism of the formation of these process related impurities is discussed.

New orally active enkephalinase inhibitors: Their synthesis, biological activity, and analgesic properties

A series of (4s)-4-[(2S)-benzyl-3-mercaptopropionylamino]-4-(N- phenylcarbamoyl)-butyric acids has been identified as potent systemically active enkephalinase inhibitors. Structure-activity relationships (SAR) are discussed. Further chemical modification of the inhibitors was carried out in order to identify the inhibitors which are orally active in an animal model. Compounds of particular interest are the prodrug-like analogues, including 5b (ONO-9902). Their analgesic effects after oral administration were evaluated.