1092460-79-1 | 3-CHLORO-4-(TRIFLUOROMETHYL)BENZONITRILE

CAS:1092460-79-1 | 3-CHLORO-4-(TRIFLUOROMETHYL)BENZONITRILE,Description

3-Chloro-4-(trifluoromethyl)benzonitrile is a key intermediate in the synthesis of fluvoxamine. It is used as a reactant in the synthesis of amino-acetonitrile derivatives.

Molecular Structure Analysis

The molecular formula of 3-Chloro-4-(trifluoromethyl)benzonitrile is C8H3ClF3N. The Fourier transform infrared and Fourier transform Raman spectra of 3C4FBN were recorded in the solid phase.

Chemical Reactions Analysis

3-Chloro-4-(trifluoromethyl)benzonitrile participates in nickel-catalyzed arylcyanation reaction of 4-octyne. It is also used as a reactant in the synthesis of amino-acetonitrile derivatives.

Physical And Chemical Properties Analysis

The physical and chemical properties of 3-Chloro-4-(trifluoromethyl)benzonitrile include a molecular weight of 205.56 g/mol. It has a melting point of 66-68°C and a boiling point of 100-105°C at 11mm.

Scientific Research Applications

• Pharmaceutical Chemistry

  • Application : “3-Chloro-4-(trifluoromethyl)benzonitrile” is a key intermediate in the synthesis of various pharmaceutical compounds. It’s particularly noted for its role in the synthesis of fluvoxamine, a medication used for the treatment of disorders such as depression and obsessive-compulsive disorder.
  • Method of Application : While the exact procedures can vary, the general process involves using “3-Chloro-4-(trifluoromethyl)benzonitrile” as a building block in organic synthesis reactions to construct the desired pharmaceutical compound.
  • Results : The use of “3-Chloro-4-(trifluoromethyl)benzonitrile” in pharmaceutical synthesis has led to the production of effective medications, such as fluvoxamine, which have been approved for use in treating various mental health disorders.

• Organic Chemistry

  • Application : “3-Chloro-4-(trifluoromethyl)benzonitrile” is used in nickel-catalyzed arylcyanation reactions. This type of reaction is a key process in organic chemistry, used to create complex organic compounds.
  • Method of Application : In a typical arylcyanation reaction, “3-Chloro-4-(trifluoromethyl)benzonitrile” would be combined with a nickel catalyst and other reagents under specific conditions to facilitate the reaction.
  • Results : The use of “3-Chloro-4-(trifluoromethyl)benzonitrile” in arylcyanation reactions contributes to the synthesis of a wide range of organic compounds.

• Material Science

  • Application : “3-Chloro-4-(trifluoromethyl)benzonitrile” is used in the production of various materials due to its unique chemical properties.
  • Method of Application : The compound can be incorporated into different material synthesis processes, depending on the desired properties of the final product.
  • Results : The use of “3-Chloro-4-(trifluoromethyl)benzonitrile” in material science has contributed to the development of new materials with improved properties.

• Fluorination Reagents

  • Application : “3-Chloro-4-(trifluoromethyl)benzonitrile” is used as a fluorination reagent. Fluorination is a chemical reaction that involves the introduction of fluorine to a compound.
  • Method of Application : The compound is used in various fluorination reactions, where it serves as a source of fluorine.
  • Results : The use of “3-Chloro-4-(trifluoromethyl)benzonitrile” in fluorination reactions has enabled the synthesis of a wide range of fluorinated compounds.

• Pharmaceuticals

  • Application : “3-Chloro-4-(trifluoromethyl)benzonitrile” is used in the synthesis of various FDA-approved drugs. For instance, it is used in the synthesis of Ubrogepant, a medication used for acute migraine with or without visual disturbances.
  • Method of Application : The compound is incorporated into the synthesis process of the drug, contributing to its pharmacological activity.
  • Results : The use of “3-Chloro-4-(trifluoromethyl)benzonitrile” in the synthesis of pharmaceuticals has led to the development of effective medications for various diseases and disorders.

• Cancer Therapeutics

  • Application : “3-Chloro-4-(trifluoromethyl)benzonitrile” is used in the synthesis of Sorafenib, a drug used for the therapy of advanced hepatocellular carcinoma (primary liver cancer).
  • Method of Application : The compound is incorporated into the synthesis process of the drug, contributing to its therapeutic activity.
  • Results : The use of “3-Chloro-4-(trifluoromethyl)benzonitrile” in the synthesis of cancer therapeutics has led to the development of effective treatments for various types of cancer.

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