Diethyl 1-cyanoethyl phosphate

Base Information

• Chemical Name: Diethyl 1-cyanoethyl phosphate
• CAS No.: 19239-48-6
• Molecular Formula: C7H14NO4P
• Molecular Weight: 0
• Hs Code.: 2926909090
• NSC Number: 220104
• Nikkaji Number: J92.203J
• Mol file: 19239-48-6.mol

Synonyms:Diethyl 1-cyanoethyl phosphate;1-cyanoethyl diethyl phosphate;19239-48-6;(1-Cyanoethyl)diethyl=phosphate;Phosphoric acid, 1-cyanoethyl diethyl ester;NSC 220104;BRN 1783265;4-03-00-00677 (Beilstein Handbook Reference);WLN: NCY1&OPO&O2&O2;NSC220104;NSC-220104

Chemical Property of Diethyl 1-cyanoethyl phosphate

Chemical Property:

• Vapor Pressure: 0.00538mmHg at 25°C
• Boiling Point: 274.5°C at 760 mmHg
• Flash Point: 119.8°C
• PSA: 78.36000
• Density: 1.144g/cm³
• LogP: 2.09618
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 207.06604493
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl 1-cyanoethyl phosphate

There total 4 articles about Diethyl 1-cyanoethyl phosphate 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: 71.0%

potassium cyanide (151-50-8) + diethyl acetylphosphonate (919-19-7) → 1-Cyanethyldiethylphosphat (19239-48-6)

Guidance literature:

potassium cyanide; diethyl acetylphosphonate; In 1,2-dimethoxyethane; at 0 ℃; for 0.0833333h;

With water; In 1,2-dimethoxyethane; at 0 ℃;

DOI:10.1016/j.tet.2006.10.036

Reference yield:

diethyl acetylphosphonate (919-19-7) → 1-Cyanethyldiethylphosphat (19239-48-6)

Guidance literature:

With water; sodium hydrogensulfite; und Behandeln des Reaktionsgemisches mit wss. Natriumcyanid-Loesung;

DOI:10.1021/ja01592a064

Reference yield:

Acetyl cyanide (631-57-2) + triethyl phosphite (122-52-1) → 1-Cyanethyldiethylphosphat (19239-48-6)

Guidance literature:

With carbon dioxide; In diethyl ether;

upstream raw materials:

diethyl acetylphosphonate

Acetyl cyanide

triethyl phosphite

potassium cyanide

Refernces