Diethyl 4-chlorophenyl phosphate

Base Information

• Chemical Name: Diethyl 4-chlorophenyl phosphate
• CAS No.: 5076-63-1
• Molecular Formula: C10H14ClO4P
• Molecular Weight: 264.646
• Hs Code.: 2919900090
• DSSTox Substance ID: DTXSID00198794
• Nikkaji Number: J34.643H
• Wikidata: Q83071623
• Mol file: 5076-63-1.mol

Synonyms:Diethyl 4-chlorophenyl phosphate;5076-63-1;p-Chlorophenyl diethyl phosphate;Phosphoric acid, p-chlorophenyl diethyl ester;BRN 2461955;Phosphoric acid, 4-chlorophenyl diethyl ester;4-06-00-00869 (Beilstein Handbook Reference);(4-chlorophenyl) diethyl phosphate;C10H14ClO4P;diethyl-p-chloro-phenylphosphate;SCHEMBL4424767;DTXSID00198794;Phosphoric acid 4-chlorophenyldiethyl ester;LS-107561;FT-0762520;Phosphoric acid(4-chlorophenyl)diethyl ester

Chemical Property of Diethyl 4-chlorophenyl phosphate

Chemical Property:

• Vapor Pressure: 0.00246mmHg at 25°C
• Boiling Point: 297°Cat760mmHg
• Flash Point: 170.2°C
• PSA: 54.57000
• Density: 1.249g/cm³
• LogP: 3.89990
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 264.0318236
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

4-CHLOROPHENYL DIETHYL PHOSPHATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(OCC)OC1=CC=C(C=C1)Cl

Technology Process of Diethyl 4-chlorophenyl phosphate

There total 8 articles about Diethyl 4-chlorophenyl 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: 91.0%

diethyl cyanophosphonate (2942-58-7) + 4-chloro-phenol (106-48-9,82344-39-6) → (4-chlorophenyl)diethyl phosphate (5076-63-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1080/00397919708005008

Reference yield: 90.0%

diethyl chlorophosphate (814-49-3) + 4-chloro-phenol (106-48-9,82344-39-6) → (4-chlorophenyl)diethyl phosphate (5076-63-1)

Guidance literature:

With sodium hydroxide; In toluene;

Reference yield: 83.0%

4-chloro-phenol (106-48-9,82344-39-6) + phosphonic acid diethyl ester (762-04-9) → (4-chlorophenyl)diethyl phosphate (5076-63-1)

Guidance literature:

With sodium iodide; In acetonitrile; at 20 ℃; for 2h; Electrochemical reaction; Green chemistry;

DOI:10.1039/d1ob00779c

upstream raw materials:

diethyl chlorophosphate

4-chloro-phenol

4-chlorophenyl trifluoromethanesulfonate

diethyl phosphite potassium salt

Downstream raw materials:

diethyl methyl phosphate

4-chloro-phenol

diethyl 5-chloro-2-hydroxyphenyl phosphonate

1,4-bis(trimethylstannyl)benzene

Refernces

• 1、 Bigley, Andrew N.,Xiang, Dao Feng,Narindoshvili, Tamari,Burgert, Charlie W.,Hengge, Alvan C.,Raushel, Frank M.. "Transition State Analysis of the Reaction Catalyzed by the Phosphotriesterase from Sphingobium sp. TCM1". . p. 1246 - 1259. Retrieved 2019/03/07.
• 2、 Zheng, Yin,Guo, Linna,Zi, Weiwei. "Enantioselective and Regioselective Hydroetherification of Alkynes by Gold-Catalyzed Desymmetrization of Prochiral Phenols with P-Stereogenic Centers". supporting information. p. 7039 - 7043. Retrieved 2018/11/24.