Cyclopropanecarbonyl cyanide

Base Information

• Chemical Name: Cyclopropanecarbonyl cyanide
• CAS No.: 6047-92-3
• Molecular Formula: C5H5NO
• Molecular Weight: 95.1008
• DSSTox Substance ID: DTXSID801308188
• Mol file: 6047-92-3.mol

Synonyms:cyclopropanecarbonyl cyanide;6047-92-3;Cyclopropaneacetonitrile, alpha-oxo-;alpha-Oxocyclopropaneacetonitrile;DTXSID801308188

Chemical Property of Cyclopropanecarbonyl cyanide

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 95.037113783
• Heavy Atom Count: 7
• Complexity: 137

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)C#N

Technology Process of Cyclopropanecarbonyl cyanide

There total 1 articles about Cyclopropanecarbonyl cyanide 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:

trimethylsilyl cyanide (7677-24-9) + cyclopropanecarboxylic acid chloride (4023-34-1) → chloro-trimethyl-silane (75-77-4) + 2-cyclopropyl-2-oxoethanenitrile (6047-92-3)

Guidance literature:

With zinc(II) iodide; at 100 ℃; for 3h; Yield given;

Reference yield: 41.0%

ketoprofen (22071-15-4,22161-86-0) + 2-cyclopropyl-2-oxoethanenitrile (6047-92-3) → C19H19NO2

Guidance literature:

With iodobenzene; water; toluene-4-sulfonic acid; Selectfluor; at 25 ℃; for 16h; Irradiation; Inert atmosphere;

DOI:10.1021/acscatal.1c05077

upstream raw materials:

trimethylsilyl cyanide

cyclopropanecarboxylic acid chloride

Refernces