Phosphoric acid, 4-chloro-2-nitrophenyl diethyl ester

Base Information

• Chemical Name: Phosphoric acid, 4-chloro-2-nitrophenyl diethyl ester
• CAS No.: 113947-94-7
• Molecular Formula: C10H13ClNO6P
• Molecular Weight: 309.643
• DSSTox Substance ID: DTXSID70479385
• Nikkaji Number: J246.278H
• Wikidata: Q82313386
• Mol file: 113947-94-7.mol

Synonyms:113947-94-7;Phosphoric acid, 4-chloro-2-nitrophenyl diethyl ester;DTXSID70479385

Chemical Property of Phosphoric acid, 4-chloro-2-nitrophenyl diethyl ester

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 309.0169018
• Heavy Atom Count: 19
• Complexity: 339

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)OC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Technology Process of Phosphoric acid, 4-chloro-2-nitrophenyl diethyl ester

There total 1 articles about Phosphoric acid, 4-chloro-2-nitrophenyl 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:

p-chloro-o-nitrophenol (89-64-5) + diethyl chlorophosphate (814-49-3) → O,O-diethyl-(4-chloro-2-nitrophenyl)phosphate (113947-94-7)

Guidance literature:

With sodium carbonate; butanone; anschliessendes Erwaermen;

Reference yield:

O,O-diethyl-(4-chloro-2-nitrophenyl)phosphate (113947-94-7) + phenol (108-95-2,27073-41-2) → O,O-diethyl O-phenyl phosphate (2510-86-3) + p-chloro-o-nitrophenol (89-64-5)

Guidance literature:

In acetonitrile; at 39 ℃; Rate constant; Mechanism; pH 11.1 in bicarbonate buffer;

DOI:10.1021/jo00284a019

Reference yield:

methanol (67-56-1) + O,O-diethyl-(4-chloro-2-nitrophenyl)phosphate (113947-94-7) → diethyl methyl phosphate (867-17-4) + p-chloro-o-nitrophenol (89-64-5)

Guidance literature:

With 1,5,9-triazacyclododecane Zn⁽²⁺⁾-OCH₃^(1-); at 25 ℃; pH=9.1; Further Variations:; Reagents; Kinetics;

DOI:10.1039/b502569a

upstream raw materials:

p-chloro-o-nitrophenol

diethyl chlorophosphate

Downstream raw materials:

4-Chloro-2-nitro-phenol anion

N-(diethoxyphosphoryl)imidazolium ion

O,O-diethyl O-phenyl phosphate

p-chloro-o-nitrophenol

Refernces

• 1、 Liu, Tony,Neverov, Alexei A.,Tsang, Josephine S.W.,Brown, R. Stan. "Mechanistic studies of la3+- And Zn2+-catalyzed methanolysis of aryl phosphate and phosphorothioate triesters. Development of artificial phosphotriesterase systems". . p. 1525 - 1533. Retrieved 2007/10/03.