68119-31-3

Basic information

• Product Name: 2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile
• Synonyms: 2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile;1,3-Benzodioxole-5-acetonitrile, 2,2-difluoro-;2,2-Difluoro-1,3-benzodioxole-5-acetonitrile;(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-acetonitrile;1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonitrile;2-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)acetonitrile;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile (Related Reference)
• CAS NO: 68119-31-3
• Molecular Formula: C₉H₅F₂NO₂
• Molecular Weight: 197.1383064
• Mol File: 68119-31-3.mol
• Article Data: 39

Chemical Properties

• Boiling Point: 249.4±40.0 °C(Predicted)
• Appearance: /
• Density: 1.43±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile(68119-31-3)
• EPA Substance Registry System: 2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile(68119-31-3)

Safety Data

• Hazardous Substances Data: 68119-31-3(Hazardous Substances Data)

Usage

General Description

The chemical 2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile, also known as difluoromethyl 2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile, is a compound with the molecular formula C9H5F2NO2. It is a fluoroarylacetonitrile derivative used in the pharmaceutical industry for the synthesis of various biologically active compounds. This chemical is also known for its potential use as a building block in the synthesis of pharmaceuticals, agrochemicals, and materials research. It has attracted attention for its potential biological properties, including human ether-a-go-go-related gene (hERG) channel blocking activity and anticoagulant properties. Further research is ongoing to explore its potential applications and properties.

Upstream product

• 476473-97-9 5-chloromethyl-2,2-difluoro-benzo[1,3]dioxole 
• 143-33-9 sodium cyanide 
• 773873-95-3 2,2-difluorobenzo[1,3]dioxole-5-carboxylic acid methyl ester 
• 72768-97-9 (2,2-difluoro-1,3-benzodioxol-5-yl)methanol 
• 1335233-51-6 (2,2-difluoro-1,3-benzodioxol-5-yl)-1-ethylacetate acetonitrile 
• 1583-59-1 2,2-difluoro-1,3-benzodioxole 
• 33070-32-5 5-bromo-2,2-difluoro-2H-1,3-benzodioxole 
• 105-56-6 ethyl 2-cyanoacetate 
• 773837-37-9 sodium cyanide 
• 68119-28-8 2,2-dichloro-5-methyl-1,3-benzodioxole 
• 7145-99-5 5-methyl-1,3-benzodioxole 
• 656-46-2 2,2-difluoro-1,3-benzodioxole-5-carboxylic acid 
• 1634-04-4 tert-butyl methyl ether 

Downstream Products

• 862574-88-7 1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid 
• 1152311-62-0 (R)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide 
• 1294504-68-9 N-{1-[(2R)-3-(benzyloxy)-2-hydroxypropyl]-2-[1-(benzyloxy)-2-methylpropan-2-yl]-6-fluoro-1H-indol-5-yl}-1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide 
• 936727-05-8 Lumacaftor 
• 1160221-26-0 Lumacaftor hydrochloride 
• 862574-87-6 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile 
• 1152274-56-0 3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoyl chloride 
• 1152274-47-9 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(4-(hydroxymethyl)phenyl)isoquinolin-3-yl)cyclopropanecarboxamide 
• 1152274-55-9 tert-butyl 3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoate 
• 1152274-36-6 2-(dimethylamino)ethyl 3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoate 
• 1152274-48-0 2-(3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane carboxamido)isoquinolin-1-yl)benzoyloxy)-N,N,N-trimethylethanaminium chloride 
• 1083168-21-1 N-(6-(1-(2-cyanamido-2-oxoethyl)-6-oxo-1,6-dihydropyridin-3-yl)-5-methylpyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide 
• 1083168-23-3 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(6-(5-fluoro-2-oxo-1,2-dihydropyridin-4-yl)-5-methylpyridin-2-yl)cyclopropanecarboxamide 

Relevant articles and documents

Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases

The present invention features compositions comprising a plurality of therapeutic agents wherein the presence of one therapeutic agent enhances the properties of at least one other therapeutic agent. In one embodiment, the therapeutic agents are cystic fibrosis transmembrane conductance regulators (CFTR) such as a CFTR corrector or CFTR potentiator for the treatment of CFTR mediated diseases such as cystic fibrosis. Methods and kits thereof are also disclosed.

METHODS OF TREATMENT FOR CYSTIC FIBROSIS

This application describes methods of treating cystic fibrosis or a CFTR mediated disease comprising administering Compound I or a pharmaceutically acceptable salt thereof. (I) The application also describes pharmaceutical compositions comprising Compound I or a pharmaceutically acceptable salt thereof and optionally comprising one or more additional CFTR modulating agents.

METHODS OF TREATMENT FOR CYSTIC FIBROSIS

Compound I of the formula (I) and/or pharmaceutically acceptable salt(s) of Compound I comprised in a pharmaceutical composition and methods of using the same to treat cystic fibrosis.