Phosphoric acid, diethyl 3-methylphenyl ester

Base Information

• Chemical Name: Phosphoric acid, diethyl 3-methylphenyl ester
• CAS No.: 14143-01-2
• Molecular Formula: C11H17 O4 P
• Molecular Weight: 244.227
• DSSTox Substance ID: DTXSID20161728
• Nikkaji Number: J1.165.150J
• Wikidata: Q83030173
• Mol file: 14143-01-2.mol

Synonyms:Phosphoric acid, diethyl 3-methylphenyl ester;Diethyl 3-methylphenyl phosphate;14143-01-2;SCHEMBL1727475;DTXSID20161728;Phosphoric acid 3-methylphenyldiethyl ester

Chemical Property of Phosphoric acid, diethyl 3-methylphenyl ester

Chemical Property:

• Vapor Pressure: 0.00412mmHg at 25°C
• Boiling Point: 288.2°Cat760mmHg
• Flash Point: 142°C
• Density: 1.13g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 244.08644602
• Heavy Atom Count: 16
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phosphoric acid, diethyl 3-methylphenyl ester

There total 7 articles about Phosphoric acid, diethyl 3-methylphenyl 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 chlorophosphate (814-49-3) + 3-methyl-phenol (108-39-4) → diethyl m-methylphenyl phosphate (14143-01-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/ol400732q

Reference yield: 91.0%

triethyl phosphate (78-40-0) + 3-methyl-phenol (108-39-4) → diethyl m-methylphenyl phosphate (14143-01-2)

Guidance literature:

triethyl phosphate; With pyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 20 ℃; for 0.166667h;

3-methyl-phenol; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1021/acs.orglett.8b02073

Reference yield: 88.0%

3-methyl-phenol (108-39-4) + phosphonic acid diethyl ester (762-04-9) → diethyl m-methylphenyl phosphate (14143-01-2)

Guidance literature:

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

DOI:10.1039/d1ob00779c

upstream raw materials:

diethyl chlorophosphate

3-methyl-phenol

phosphonic acid diethyl ester

3-tolyl triflate

Downstream raw materials:

(2-Hydroxy-4-methyl-phenyl)-phosphonic acid diethyl ester

2-(Diethyl-phosphinoyl)-5-methyl-phenol

4'-methoxy-3-methylbiphenyl

4-m-tolylmorpholine

Refernces

• 1、 Anitha, Thippani,Ashalu, Kashamalla Chinna,Sandeep, Mummadi,Mohd, Aabid,Wencel-Delord, Joanna,Colobert, Francoise,Reddy, Kallu Rajender. "LiI/TBHP Mediated Oxidative Cross-Coupling of P(O)–H Compounds with Phenols and Various Nucleophiles: Direct Access to the Synthesis of Organophosphates". . p. 7463 - 7474. Retrieved 2019/12/03.
• 2、 Huang, Hai,Ash, Jeffrey,Kang, Jun Yong. "Tf2O-Promoted Activating Strategy of Phosphate Analogues: Synthesis of Mixed Phosphates and Phosphinate". supporting information. p. 4938 - 4941. Retrieved 2018/08/24.