2,2-Diethylcyclopropanecarbonitrile

Base Information

• Chemical Name: 2,2-Diethylcyclopropanecarbonitrile
• CAS No.: 54418-05-2
• Molecular Formula: C8H13N
• Molecular Weight: 123.1955
• NSC Number: 92364
• DSSTox Substance ID: DTXSID10293800
• Mol file: 54418-05-2.mol

Synonyms:54418-05-2;2,2-diethylcyclopropanecarbonitrile;NSC92364;DTXSID10293800;NSC-92364;AKOS032953066

Chemical Property of 2,2-Diethylcyclopropanecarbonitrile

Chemical Property:

• Vapor Pressure: 0.673mmHg at 25°C
• Boiling Point: 186.1°Cat760mmHg
• Flash Point: 61.1°C
• Density: 0.89g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 123.104799419
• Heavy Atom Count: 9
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CC1C#N)CC

Technology Process of 2,2-Diethylcyclopropanecarbonitrile

There total 2 articles about 2,2-Diethylcyclopropanecarbonitrile 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:

2,2-diethylpropane-1,3-diol ditosylate (102445-54-5) + potassium cyanide (151-50-8) → 2,2-diethyl-cyclopropanecarbonitrile (54418-05-2)

Guidance literature:

With ethylene glycol;

DOI:10.1021/ja01570a041

Reference yield:

→ 2,2-diethyl-cyclopropanecarbonitrile (54418-05-2)

Guidance literature:

Sn-Produkt 3c, Ph3PBr2;

DOI:10.1246/cl.1974.1123

upstream raw materials:

2,2-diethylpropane-1,3-diol ditosylate

potassium cyanide