Phosphoric acid, cyanocyclohexylmethyl diethyl ester

Base Information

• Chemical Name: Phosphoric acid, cyanocyclohexylmethyl diethyl ester
• CAS No.: 88151-76-2
• Molecular Formula: C12H22NO4P
• Molecular Weight: 275.28100
• DSSTox Substance ID: DTXSID70471081
• Nikkaji Number: J2.284.265J
• Mol file: 88151-76-2.mol

Synonyms:Phosphoric acid, cyanocyclohexylmethyl diethyl ester;88151-76-2;DTXSID70471081

Chemical Property of Phosphoric acid, cyanocyclohexylmethyl diethyl ester

Chemical Property:

• PSA: 78.36000
• LogP: 3.65658
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 275.12864518
• Heavy Atom Count: 18
• Complexity: 322

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)OC(C#N)C1CCCCC1

Technology Process of Phosphoric acid, cyanocyclohexylmethyl diethyl ester

There total 2 articles about Phosphoric acid, cyanocyclohexylmethyl 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: 94.0%

diethyl cyanophosphonate (2942-58-7) + cyclohexanecarbaldehyde (2043-61-0) → phosphoric acid (cyano)(cyclohexyl)methyl ester diethyl ester (88151-76-2)

Guidance literature:

With potassium tert-butylate; 1,3-bis(mesityl)imidazolium chloride; In tetrahydrofuran; at 0 ℃; for 0.0833333h;

DOI:10.1248/cpb.54.397

Reference yield: 73.0%

diethyl cyclohexanecarbonylphosphonate (1490-14-8) + potassium cyanide (151-50-8) → phosphoric acid (cyano)(cyclohexyl)methyl ester diethyl ester (88151-76-2)

Guidance literature:

diethyl cyclohexanecarbonylphosphonate; potassium cyanide; In 1,2-dimethoxyethane; for 0.0833333h;

With water; In 1,2-dimethoxyethane;

DOI:10.1016/j.tet.2006.10.036

upstream raw materials:

diethyl cyanophosphonate

cyclohexanecarbaldehyde

diethyl cyclohexanecarbonylphosphonate

potassium cyanide