Phosphoric acid, 1-cyanocyclohexyl diethyl ester

Base Information

• Chemical Name: Phosphoric acid, 1-cyanocyclohexyl diethyl ester
• CAS No.: 88151-67-1
• Molecular Formula: C11H20NO4P
• Molecular Weight: 261.258
• DSSTox Substance ID: DTXSID70455907
• Nikkaji Number: J3.243.880F
• Wikidata: Q82278067
• Mol file: 88151-67-1.mol

Synonyms:Phosphoric acid, 1-cyanocyclohexyl diethyl ester;88151-67-1;DTXSID70455907;1-cyanocyclohexyl diethyl phosphate;Phosphoric acid 1-cyanocyclohexyl=diethyl;phosphoric acid (1-cyano-cyclohexyl) diethyl ester

Chemical Property of Phosphoric acid, 1-cyanocyclohexyl diethyl ester

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 261.11299512
• Heavy Atom Count: 17
• Complexity: 320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)OC1(CCCCC1)C#N

Technology Process of Phosphoric acid, 1-cyanocyclohexyl diethyl ester

There total 1 articles about Phosphoric acid, 1-cyanocyclohexyl diethyl ester 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: 99.0%

diethyl cyanophosphonate (2942-58-7) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(Diethylphosphonooxy)cyclohexanecarbonitrile (88151-67-1)

Guidance literature:

With 1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene; In toluene; at 20 ℃; for 8h; Solvent; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.tetlet.2013.08.073

upstream raw materials:

diethyl cyanophosphonate

cyclohexanone