Ethyl 4-methylphenyl hydrogen phosphate

Base Information

• Chemical Name: Ethyl 4-methylphenyl hydrogen phosphate
• CAS No.: 4877-08-1
• Molecular Formula: C9H12O4P-
• Molecular Weight: 244.227
• DSSTox Substance ID: DTXSID00964113
• Wikidata: Q82946033
• Mol file: 4877-08-1.mol

Synonyms:SCHEMBL11145567;DTXSID00964113;Ethyl 4-methylphenyl hydrogen phosphate

Chemical Property of Ethyl 4-methylphenyl hydrogen phosphate

Chemical Property:

• Vapor Pressure: 0.000183mmHg at 25°C
• Boiling Point: 315.6°Cat760mmHg
• Flash Point: 144.7°C
• Density: g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 216.05514589
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-methylphenyl hydrogen phosphate

There total 12 articles about Ethyl 4-methylphenyl hydrogen 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: 92.0%

p-cresol (106-44-5) + phosphonic acid diethyl ester (762-04-9) → diethyl p-cresyl phosphate (4877-08-1)

Guidance literature:

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

DOI:10.1039/d1ob00779c

Reference yield: 90.0%

p-cresol (106-44-5) + triethyl phosphate (78-40-0) → diethyl p-cresyl phosphate (4877-08-1)

Guidance literature:

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

p-cresol; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1021/acs.orglett.8b02073

Reference yield: 89.0%

p-cresol (106-44-5) + diethyl cyanophosphonate (2942-58-7) → diethyl p-cresyl phosphate (4877-08-1)

Guidance literature:

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

DOI:10.1080/00397919708005008

upstream raw materials:

p-cresol

phosphonic acid diethyl ester

p-tolyl triflate

diethyl phosphite potassium salt

Downstream raw materials:

diethyl 2-hydroxy-5-methylphenyl phosphonate

2-(Diethyl-phosphinoyl)-4-methyl-phenol

4-(4-tolyl)anisole

4-Methylbiphenyl