5601-23-0

Usage

Uses

Used in Pharmaceutical Industry:
3-Benzylthiopropionitrile is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with specific therapeutic properties, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Benzylthiopropionitrile serves as an intermediate in the production of pesticides and other crop protection agents. Its involvement in the synthesis of these chemicals helps to enhance crop yields and protect plants from pests and diseases.
Used in Food Industry:
3-Benzylthiopropionitrile is utilized as a flavoring agent in the food industry. Its ability to impart specific tastes and aromas to food products makes it a valuable component in the creation of various culinary offerings.
Used in Cosmetic Industry:
In the cosmetic industry, 3-Benzylthiopropionitrile is employed as a fragrance agent. Its incorporation into cosmetic products helps to create appealing scents, enhancing the sensory experience for consumers.
Safety Precautions:
Given its classification as a hazardous substance, it is crucial to handle 3-Benzylthiopropionitrile with care. Proper protective equipment, such as gloves, goggles, and respirators, should be worn when working with this chemical to minimize exposure and potential health risks. Additionally, adherence to established handling procedures and safety guidelines is essential to ensure the well-being of individuals involved in its production and use.

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 
• 56-40-6 glycine 
• 100-46-9 benzylamine 
• 100-44-7 benzyl chloride 
• 100-39-0 benzyl bromide 
• 3012-37-1 benzyl thiocyanate 
• 2417-90-5 bromopropionitrile 
• 32362-99-5 benzylthioacetate 
• 32894-07-8 S-benzyl thioacetimidate hydrochloride 

Downstream Products

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

Relevant academic research and scientific papers

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.

TRIAZOLE-BASED READER MOLECULES AND METHODS FOR SYNTHESIZING AND USE THEREOF

Triazole-based molecules, methods of making and using the same are provided. Triazole-based molecules may be used as reading molecules and incorporated into or operatively-linked with electrodes, for example, and used in recognition tunneling systems to i

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.

Dithiooxamide as an Effective Sulfur Surrogate for Odorless High-Yielding Carbon-Sulfur Bond Formation in Wet PEG200 as an Eco-Friendly, Safe, and Recoverable Solvent

In this study, we have employed dithiooxamide, a solid, odorless, and commercially available compound, as a sulfur surrogate for the preparation of dialkyl sulfides from available alkyl halides in high yields. This sulfur transfer agent was also used for a copper-catalyzed high-yielding preparation of diaryl sulfides from their available aryl halides and for the preparation of thia-Michael adducts in high yields. All the reactions were performed under odorless conditions in wet PEG200 (PEG = polyethylene glycol), which is an eco-friendly, safe, and recoverable solvent. The protocols were easily applicable to large-scale operation.

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

An atom-economic and odorless thia-Michael addition in a deep eutectic solvent

The first 100% atom-efficient and odorless protocol for carbon-sulfur bond formation in a deep eutectic solvent (DES) as both the reaction medium and catalyst is reported. The biodegradable and inexpensive DES provides an efficient and convenient ionic reaction medium for the thia-Michael addition with in situ generation of S-alkylisothiouronium salts in place of thiols without the urea by-product segment. This protocol offers several advantages including short reaction times, high yields, clean reactions, and inexpensive and commercially available starting materials.

Mild hydrosulfenylation of Olefins under neutral conditions using a defined NHC-ligated iron-sulfur catalyst

A defined NHC-Fe-S complex proved to be an efficient catalyst for the selective hydrosulfenylation of α,β-unsaturated ketones or vinylnitriles. A wide range of different aliphatic thiols were transferred in this atom-economic reaction into the correspondi

Novel atom-economic reaction: Comprehensive utilization of S-alkylisothiouronium salt in the synthesis of thioethers and guanidinium salts

A novel atom-economic three-component one-pot reaction of a primary amine, an S-alkylisothiouronium salt and a Michael receptor is reported, which affords a guanidinium salt and thioether simultaneously. The guanidine moiety is involved in catalyzing the conjugated Michael addition of the mercaptan. The reaction proceeds under ambient conditions using a non-toxic EtOH-H2O mixture as the solvent, and the two products can be very easily purified. Complete atom economy is achieved by fully utilizing the S-alkylisothiouronium salt and converting the previously wasted mercaptan by-product into the valuable thioether.

Pronounced catalytic effect of a micellar solution of sodium dodecyl sulfate (SDS) on the efficient C-S bond formation via an odorless thia-michael addition reaction through the in situ generation of S-alkylisothiouronium salts

A pronounced catalytic effect of sodium dodecyl sulfate (SDS) was observed on the in situ production of 5-alkylisothiouronium salts via the reaction of primary, allyl and benzyl halides with thiourea in SDS droplets .Hydrolysis of the generated Salkylisot

Thia-Michael addition using cheap and odorless S-alkylisothiouronium salts as thiol equivalents in water

S-Alkylisothiouronium salt has been found to be a non-toxic, odorless and simply operational alternative of thiol for the thia-Michael addition with electron-deficient olefins. The reactions were carried out under alkaline conditions in water at room temperature within 5-20 minutes to afford the expected products in good to excellent yields. Georg Thieme Verlag Stuttgart.