76932-17-7

Basic information

• Product Name: (S)-ACETYLTHIO-3-PHENYLPROPIONIC ACID
• Synonyms: (S)-ACETYLTHIO-3-PHENYLPROPIONIC ACID;2(S)-ACETYLTHIO-BENZENEPROPANOIC ACID;S-2-Acetylthio-3-phenylpropionicAcid;(2S)-Acetylthio-3-phenylpropionsure;(2S)-2-Acetylthio-3-phenylpropionic Acid;(aS)-α-(Acetylthio)benzenepropanoic Acid;(S)-α-(acetylthio)benzenepropanoic acid;(aS)-a-(Acetylthio)benzenepropanoic Acid
• CAS NO: 76932-17-7
• Molecular Formula: C₁₁H₁₂O₃S
• Molecular Weight: 224.28
• EINECS: 430-300-0
• Product Categories: Chiral Reagents;Inhibitors;Intermediates;Sulfur & Selenium Compounds;Other enzyme inhibitors;Aromatics
• Mol File: 76932-17-7.mol
• Article Data: 15

Chemical Properties

• Melting Point: 41-43°C
• Boiling Point: 358.9±35.0 °C(Predicted)
• Appearance: /
• Density: 1.260±0.06 g/cm3(Predicted)
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• PKA: 3.13±0.10(Predicted)
• CAS DataBase Reference: (S)-ACETYLTHIO-3-PHENYLPROPIONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-ACETYLTHIO-3-PHENYLPROPIONIC ACID(76932-17-7)
• EPA Substance Registry System: (S)-ACETYLTHIO-3-PHENYLPROPIONIC ACID(76932-17-7)

Safety Data

• Hazard Codes: Xn
• Statements: 22-41-43
• Safety Statements: 22-26-36/37/39
• Hazardous Substances Data: 76932-17-7(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

Upstream product

• 42990-55-6 (S)-(alpha)-bromobenzenepropanoic acid 
• 56827-86-2 cesium thioacetate 
• 20312-36-1 L-3-phenyllactic acid 
• 507-09-5 tiolacetic acid 
• 10387-40-3 potassium thioacetate 
• 29632-72-2 (R)-thioacetate 
• 620-79-1 Ethyl 2-benzylacetoacetate 
• 100-44-7 benzyl chloride 
• 101308-40-1 ethyl 2-bromo-3-phenylpropionate 
• 673-06-3 D-(R)-phenylalanine 
• 63-91-2 L-phenylalanine 
• 7474-06-8 (2R)-2-chloro-3-phenylpropionic acid 
• 496962-20-0 ethyl 2-acetylthio-3-benzenepropanoate 
• 34832-35-4 sodium thioacetate 

Downstream Products

• 785748-27-8 (R)-2-((S)-1-Carboxy-2-phenyl-ethylsulfanyl)-3-phenyl-propionic acid 
• 160135-05-7 [3S-[3α(R*),7β]]-7-(Cyclopentyl)hexahydro-3-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-2-oxo-1H-azepine-1-acetic acid, methyl ester 
• 160135-02-4 [(3S,7R)-3-((S)-2-Acetylsulfanyl-3-phenyl-propionylamino)-7-cyclopropylmethyl-2-oxo-azepan-1-yl]-acetic acid methyl ester 
• 1027542-31-9 (S)-2-[(3S,7S)-3-((S)-2-Acetylsulfanyl-3-phenyl-propionylamino)-2-oxo-7-propyl-azepan-1-yl]-butyric acid methyl ester 
• 160135-35-3 [(3S,7R)-3-((S)-2-Acetylsulfanyl-3-phenyl-propionylamino)-7-(2-hydroxy-ethyl)-2-oxo-azepan-1-yl]-acetic acid methyl ester 
• 160134-57-6 [(S)-3-((S)-2-Acetylsulfanyl-3-phenyl-propionylamino)-2-oxo-azepan-1-yl]-acetic acid ethyl ester 
• 632297-58-6 methyl N-{(2S)-2-[(acetylthio)methyl]-3-phenylpropanoyl}-4-(1H-pyrazol-1-yl)-L-phenylalaninate 
• 148495-86-7 (R)-2-((S)-1-Carbamoyl-2-phenyl-ethylsulfanyl)-3-phenyl-propionamide 

Relevant articles and documents

Ethane-1,2-diaminium bis[(2R)-2-bromo-3-phenylpropanoate], processes for its preparation and its use

The present invention relates to ethane-1,2-diaminium bis[(2R)-2-bromo-3-phenyl-propanoate], the preparation of ethane-1,2-diaminium bis[(2R)-2-bromo-3-phenyl-propanoate] from (2R)-2-bromo-3-phenylpropionic acid and ethylenediamine in 2-propanol, and the use of ethane-1,2-diaminium bis[(2R)-2-bromo-3-phenyl-propanoate] for the preparation of ACE/NEP inhibitors.

Crystallization-induced chiral inversion as the key step for synthesis of (S)-2-acetylthio-3-phenylpropanoic acid from L-phenylalanine

(Chemical Equation Presented) A novel crystallization-induced chiral inversion of (S)-2-bromo-3-phenylpropanoic acid to its (R)-enantiomer with excellent enantiomeric excess (96-99%) is achieved. Optically pure (S)-2-acetylthio-3-phenylpropanoic acid can

Synthesis of optically pure (S)-2-acetylthio-3-benzenepropanoic acid via enzymatic resolution

A method of synthesizing optically pure (S)-2-acetylthio-3-benzenepropanoic acid has been developed and good to excellent enantiomeric excess achieved via enzymatic resolution.