1,1-Cyclopropanedicarbonitrile

Base Information

• Chemical Name: 1,1-Cyclopropanedicarbonitrile
• CAS No.: 1559-03-1
• Molecular Formula: C5H4N2
• Molecular Weight: 92.1002
• DSSTox Substance ID: DTXSID80448663
• Nikkaji Number: J757.574B
• Wikidata: Q82267750
• Mol file: 1559-03-1.mol

Synonyms:1,1-Cyclopropanedicarbonitrile;1559-03-1;Cyclopropane-1,1-dicarbonitrile;dicyanocyclopropane;1,1-dicyanocyclopropane;DTXSID80448663

Chemical Property of 1,1-Cyclopropanedicarbonitrile

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 92.037448136
• Heavy Atom Count: 7
• Complexity: 153

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C#N)C#N

Technology Process of 1,1-Cyclopropanedicarbonitrile

There total 1 articles about 1,1-Cyclopropanedicarbonitrile 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: 75.0%

malononitrile (109-77-3) + methyl 2-cyanoacetate (105-34-0) → cyclopropane-1,1-dicarbonitrile (1559-03-1) + 1-acetylcyclopropanecarboxylic acid methyl ester (38806-09-6)

Guidance literature:

With potassium carbonate; 18-crown-6 ether; In dichloromethane; for 48h; Ambient temperature;

DOI:10.1080/00397919608003644

Reference yield: 96.9%

cyclopropane-1,1-dicarbonitrile (1559-03-1) → cyclopropane-1,1-dicarboxylic acid amide [4-(3-fluoro-benzyloxy)-phenyl]-amide (5813-85-4)

Guidance literature:

With water; tetra(n-butyl)ammonium hydrogensulfate; potassium hydroxide; In dichloromethane; at 55 - 60 ℃; for 12h; Reagent/catalyst; Temperature;

Reference yield: 93.0%

α, α-diphenyl-γ-methylidene-δ-valerolactone (1198581-74-6) + cyclopropane-1,1-dicarbonitrile (1559-03-1) → C23H20N2O2 (1198581-78-0)

Guidance literature:

With allyl(cyclopentadiene)palladium(II); (5,7-Dioxa-6-phospha-dibenzo[a,c]cyclohepten-6-yl)-diethyl-amine; In toluene; at 20 - 65 ℃; for 48.08h;

DOI:10.1021/ol902326s

upstream raw materials:

malononitrile

methyl 2-cyanoacetate

Downstream raw materials:

C₁₉H₂₀N₂O₃

C₁₉H₂₀N₂O₂

C₂₀H₂₀N₂O₄

C₁₉H₂₀N₂O₂

Refernces