862574-87-6

Basic information

• Product Name: 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile
• Synonyms: 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile;1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)CYCLOPROPANE-1-CARBONITRILE;Cyclopropanecarbonitrile, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-;1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;EOS-61001
• CAS NO: 862574-87-6
• Molecular Formula: C₁₁H₇F₂NO₂
• Molecular Weight: 223.1755864
• Mol File: 862574-87-6.mol
• Article Data: 32

Chemical Properties

• Boiling Point: 298.7±40.0 °C(Predicted)
• Appearance: /
• Density: 1.47±0.1 g/cm3(Predicted)
• Storage Temp.: Inert atmosphere,Room Temperature
• CAS DataBase Reference: 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile(862574-87-6)
• EPA Substance Registry System: 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile(862574-87-6)

Safety Data

• Hazardous Substances Data: 862574-87-6(Hazardous Substances Data)

Usage

General Description

1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile is a chemical compound with the molecular formula C12H6F2N2O2. It is a synthetic compound that contains a cyclopropane ring and a carbonitrile group, as well as difluorobenzo[d][1,3]dioxol-5-yl moiety. 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile may have potential applications in the field of medicinal chemistry, particularly as a starting material for the synthesis of other organic compounds. However, due to its complex structure and potential reactivity, it requires careful handling and further study to determine its full range of properties and potential uses.

Upstream product

• 68119-31-3 2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile 
• 107-04-0 1-Bromo-2-chloroethane 
• 1583-59-1 2,2-difluoro-1,3-benzodioxole 
• 773873-95-3 2,2-difluorobenzo[1,3]dioxole-5-carboxylic acid methyl ester 
• 14866-33-2 tetraoctyl ammonium bromide 
• 1335233-51-6 (2,2-difluoro-1,3-benzodioxol-5-yl)-1-ethylacetate acetonitrile 
• 476473-97-9 5-chloromethyl-2,2-difluoro-benzo[1,3]dioxole 
• 72768-97-9 (2,2-difluoro-1,3-benzodioxol-5-yl)methanol 
• 656-46-2 2,2-difluoro-1,3-benzodioxole-5-carboxylic acid 
• 33070-32-5 5-bromo-2,2-difluoro-2H-1,3-benzodioxole 
• 1634-04-4 tert-butyl methyl ether 

Downstream Products

• 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 
• 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 
• 1152274-36-6 2-(dimethylamino)ethyl 3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoate 
• 1152274-55-9 tert-butyl 3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoate 
• 1152274-47-9 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(4-(hydroxymethyl)phenyl)isoquinolin-3-yl)cyclopropanecarboxamide 
• 1152274-56-0 3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoyl 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 
• 1160221-26-0 Lumacaftor hydrochloride 
• 936727-05-8 Lumacaftor 
• 1160221-25-9 tert-butyl 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzoate 
• 862574-88-7 1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid 

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.

1 - (2, 2 - Difluorobenzene and [D] [1, 3] dioxo heterocyclic pentene -5 - yl) ring propyl nitrile of preparation method

The invention discloses a preparation method for 1-(2,2-difluoro-benzo[D][1,3]dioxol-5-yl)-cyclopropanecarbonitrile. The method comprises the following steps: 5-(chloromethyl)benzo[d][1,3]dioxole is prepared from 2,2-difluoro-1,3-benzodioxole through Blanc chloromethylation, and then is subjected to cyanation by utilization of cuprous cyanide, finally cyclization is carried out by utilization of 1-Bromo-2-chloroethane and a product is obtained. In the above method, cyanation is carried out by utilization of low-toxic cuprous cyanide, a weak organic base triethylamine deacid reagent is employed to carry out cyclization preparation and a target product is obtained, usage of dangerous lithium aluminum hydride and sodium cyanide is avoided, strong alkaline and high temperature conditions are avoided, and therefore hydrolysis of cyan in the product is avoided. The preparation method is low-toxic to the environment and the product yield and quality are raised. The process flow is simple and safe, the reaction process is easy to control, the cost is low, the yield is high, and the preparation method is suitable for industrialization.

Efficient cyclopropanation of aryl/heteroaryl acetates and acetonitriles with vinyl diphenyl sulfonium triflate

A convenient method was developed for the cyclopropanation of aryl acetates and aryl acetonitrile using vinyl diphenyl sulfonium triflate salt. The newly developed conditions are simple, mild, and compatible with a wide range of functional groups, without the need to apply an inert atmosphere, or alkali bases.