5601-23-0

Basic information

• Product Name: 3-Benzylthiopropionitrile
• Synonyms: 3-(phenylmethylsulfanyl)propanenitrile;3-[(phenylmethyl)thio]Propanenitrile
• CAS NO: 5601-23-0
• Molecular Formula: C₁₀H₁₁NS
• Molecular Weight: 177.266
• Mol File: 5601-23-0.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 319.9 °C at 760 mmHg
• Flash Point: 147.3 °C
• Appearance: /
• Density: 1.09 g/cm³
• Vapor Pressure: 0.000329mmHg at 25°C
• Refractive Index: 1.565
• CAS DataBase Reference: 3-Benzylthiopropionitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Benzylthiopropionitrile(5601-23-0)
• EPA Substance Registry System: 3-Benzylthiopropionitrile(5601-23-0)

Safety Data

• Hazardous Substances Data: 5601-23-0(Hazardous Substances Data)

Usage

General Description

3-Benzylthiopropionitrile is a chemical compound with the molecular formula C11H11NS. It is a colorless to pale yellow liquid with a strong, unpleasant odor. This chemical is commonly used as an intermediate in the production of pharmaceuticals and agrochemicals. It is also used as a flavoring and fragrance agent in the food and cosmetic industries. 3-Benzylthiopropionitrile is considered to be a hazardous substance and must be handled with care due to its potential toxicity and irritant properties. It is important to use proper protective equipment and handling procedures when working with this chemical.

InChI:InChI=1/C10H11NS/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2

Upstream product

• 538-28-3 S-benzylisothiourea hydrochloride 
• 107-13-1 acrylonitrile 
• 100-53-8 phenylmethanethiol 
• 2417-90-5 bromopropionitrile 
• 32894-07-8 S-benzyl thioacetimidate hydrochloride 
• 32362-99-5 benzylthioacetate 
• 3012-37-1 benzyl thiocyanate 
• 100-39-0 benzyl bromide 
• 100-44-7 benzyl chloride 
• 100-46-9 benzylamine 
• 56-40-6 glycine 

Downstream Products

• 3179-18-8 3-(benzylsulfonyl)propanenitrile 
• 112982-07-7 3-phenylmethanesulfonyl-propionic acid amide 
• 23909-16-2 3-benzylmercaptopropylamine 
• 125329-54-6 hydrochloride of methyl iminoester of β-benzylthiopropionic acid 
• 16979-50-3 3-benzylsulfanyl-propionaldehyde 
• 172295-18-0 5-(benzylthio)-3-hydroxy-1-pentene 
• 130412-02-1 S-Benzyl-thiohydroxylamine 
• 130412-05-4 S-Benzyl-N-methyl-thiohydroxylamine 
• 125329-55-7 2,4-Bis<2-<(phenylmethyl)thio>ethyl>-1H-imidazole 
• 90396-02-4 3-(benzylsulfonyl)propanoic acid 

Relevant articles and documents

KOtBu-Catalyzed Michael Addition Reactions Under Mild and Solvent-Free Conditions

Designed transition metal complexes predominantly catalyze Michael addition reactions. Inorganic and organic base-catalyzed Michael addition reactions have been reported. However, known base-catalyzed reactions suffer from the requirement of solvents, additives, high pressure and also side-reactions. Herein, we demonstrate a mild and environmentally friendly strategy of readily available KOtBu-catalyzed Michael addition reactions. This simple inorganic base efficiently catalyzes the Michael addition of underexplored acrylonitriles, esters and amides with (oxa-, aza-, and thia-) heteroatom nucleophiles. This catalytic process proceeds under solvent-free conditions and at room temperature. Notably, this protocol offers an easy operational procedure, broad substrate scope with excellent selectivity, reaction scalability and excellent TON (>9900). Preliminary mechanistic studies revealed that the reaction follows an ionic mechanism. Formal synthesis of promazine is demonstrated using this catalytic protocol.

Visible light promoted thiol-ene reactions using titanium dioxide

The radical addition of thiols to alkenes is reported under photoredox conditions, using visible light and TiO2 as a cheap and readily available photocatalyst.

PHARMACEUTICAL USE OF 3-BENZYLSULFONYLPROPIONITRILE

The present invention is directed to a pharmaceutical composition comprising a pharmaceutically acceptable carrier and 3-benzylsulfonylpropionitrile, or a pharmaceutically acceptable salt thereof. The present invention is directed to a method for treating