7062-95-5

Basic information

• Product Name: 2-[(4-methylphenyl)sulfonyl]-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
• CAS NO: 7062-95-5
• Molecular Formula: C₃H₂NO₂*K
• Molecular Weight: 364.4607
• Mol File: 7062-95-5.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 540.3°C at 760 mmHg
• Flash Point: 280.5°C
• Density: 1.264g/cm³
• Vapor Pressure: 9.73E-12mmHg at 25°C
• Refractive Index: 1.634
• CAS DataBase Reference: 2-[(4-methylphenyl)sulfonyl]-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(4-methylphenyl)sulfonyl]-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline(7062-95-5)
• EPA Substance Registry System: 2-[(4-methylphenyl)sulfonyl]-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline(7062-95-5)

Safety Data

• Hazardous Substances Data: 7062-95-5(Hazardous Substances Data)

Usage

Chemical Family

Tetrahydroisoquinoline
The compound belongs to the tetrahydroisoquinoline family of chemical compounds.

Sulfonyl Group

(4-methylphenyl)sulfonyl
The compound contains a sulfonyl group that is attached to a 4-methylphenyl ring.

4-Methylphenyl Ring

A phenyl ring with a methyl group attached to it, which is part of the sulfonyl group.

Pyridinyl Group

1-pyridin-4-yl
A pyridine ring with a substituent at the 4-position, which is connected to the tetrahydroisoquinoline ring system.

Tetrahydroisoquinoline Ring System

1,2,3,4-tetrahydroisoquinoline
A fused ring system consisting of a benzene ring and a partially saturated isoquinoline ring.

Biological Activity

Potential enzyme inhibitors
Sulfonyl-containing compounds, like this one, have been studied for their biological activities, including their potential as enzyme inhibitors.

Pharmaceutical Research Applications

The compound may have potential applications in pharmaceutical research due to its biological activity and unique structure.

Further Investigation

Research and testing required
The specific properties and potential uses of this compound would need to be further investigated through research and testing.

Upstream product

• 105-56-6 ethyl 2-cyanoacetate 
• 372-09-8 cyanoacetic acid 

Downstream Products

• 86-29-3 Diphenylacetonitrile 
• 140-29-4 phenylacetonitrile 
• 1057676-70-6 3-(3-phenoxyphenyl)propanenitrile 
• 645-59-0 dihydrocinnamonitrile 
• 5219-61-4 (phenylthio)acetonitrile 
• 71001-49-5 4-nitrobenzyl-2-cyanoacetate 
• 3672-47-7 3-oxo-3-(4'-methoxyphenyl)propanenitrile 
• 6275-26-9 2,2-bis(4-methoxyphenyl)acetonitrile 
• 92962-16-8 bis(4-methylphenyl)acetonitrile 
• 116296-33-4 2,2’-bis(2-(methyl)phenyl)acetonitrile 
• 124-38-9 carbon dioxide 
• 75-05-8 acetonitrile 
• 107-95-9 3-amino propanoic acid 
• 50-00-0 formaldehyd 

Relevant articles and documents

Synthesis method of netupitant intermediates

The invention discloses a synthesis method of netupitant intermediates. The method includes the steps of dissolving cyano-acetate and 3,5-bis(trifluoromethylphenyl halide) in solvent, conducting decarboxylation and cyanomethylation reaction under the effect of a palladium catalyst and organophosphorus ligand to obtain 2-(3,5-bistrifluoromethylphenyl)acetonitrile, converting a cyano group into a carboxy group through alkali to obtain 2-(3,5-bistrifluoromethylphenyl)acetic acid, and making 2-(3,5-bistrifluoromethylphenyl)acetic acid react with a methylating agent to obtain a target product. The method is easy to operate, free of side reaction and high in yield, and raw materials are low in price, easy to obtain and easy to synthesize.

Copper catalyzed decarboxylative alkynylation of quaternary α-cyano acetate salts

Cu-catalyzed decarboxylative alkynylation of quaternary α-cyano acetate salts with alkynyl bromides and alkynyl chlorides is described. This new reaction can be used for preparing functionalized butynenitrile derivatives.

Synthesis of α-Aryl nitriles through palladium-catalyzed decarboxylative coupling of cyanoacetate salts with aryl halides and triflates

Worth its salt: The palladium-catalyzed decarboxylative coupling of the cyanoacetate salt as well as its mono- and disubstituted derivatives with aryl chlorides, bromides, and triflates is described (see scheme). This reaction is potentially useful for the preparation of a diverse array of α-aryl nitriles and has good functional group tolerance. S-Phos=2-(2,6- dimethoxybiphenyl)dicyclohexylphosphine), Xant-Phos=4,5-bis(diphenylphosphino)- 9,9-dimethylxanthene. Copyright