1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile

Base Information

• Chemical Name: 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile
• CAS No.: 862574-87-6
• Molecular Formula: C11H7F2NO2
• Molecular Weight: 223.179
• Mol file: 862574-87-6.mol

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

Chemical Property of 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile

Chemical Property:

• Boiling Point: 298.7±40.0 °C(Predicted)
• PSA: 42.25000
• Density: 1.47±0.1 g/cm3(Predicted)
• LogP: 2.56328
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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Technology Process of 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile

There total 14 articles about 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile (68119-31-3) + 1-Bromo-2-chloroethane (107-04-0) → 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile (862574-87-6)

Guidance literature:

With tetraoctyl ammonium bromide; potassium hydroxide; In water; at 70 ℃; for 1h;

Reference yield: 85.0%

2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile (68119-31-3) + diphenyl(vinyl)sulfonium trifluoromethanesulfonate → 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile (862574-87-6)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dimethyl sulfoxide; at 21 ℃; for 12h;

DOI:10.1016/j.tetlet.2018.02.080

Reference yield:

5-bromo-2,2-difluoro-2H-1,3-benzodioxole (33070-32-5) → 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile (862574-87-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium phosphate; tri-tert-butyl phosphine / bis(dibenzylideneacetone)-palladium⁽⁰⁾ / toluene; hexanes / 0.83 h / 23 °C / Inert atmosphere

1.2: 70 °C

2.1: hydrogenchloride / water; dimethyl sulfoxide / 40 - 75 °C

3.1: tetraoctyl ammonium bromide; potassium hydroxide / water / 1 h / 70 °C

With hydrogenchloride; tri-tert-butyl phosphine; tetraoctyl ammonium bromide; sodium phosphate; potassium hydroxide; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In hexanes; water; dimethyl sulfoxide; toluene;

upstream raw materials:

2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile

1-Bromo-2-chloroethane

tert-butyl methyl ether

5-bromo-2,2-difluoro-2H-1,3-benzodioxole

Downstream raw materials:

1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid

(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

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

tert-butyl 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzoate

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