Ethyl p-tolyl carbonate

Base Information

• Chemical Name: Ethyl p-tolyl carbonate
• CAS No.: 22719-81-9
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• Hs Code.: 2920909090
• European Community (EC) Number: 245-175-6
• NSC Number: 9016
• UNII: O1F0G626ZX
• DSSTox Substance ID: DTXSID9051878
• Nikkaji Number: J286.283B
• Wikidata: Q81984857
• Mol file: 22719-81-9.mol

Synonyms:Ethyl p-tolyl carbonate;22719-81-9;p-Tolyl ethyl carbonate;ethyl (4-methylphenyl) carbonate;Carbonic acid, ethyl 4-methylphenyl ester;Carbonic acid, ethyl p-tolyl ester;Ethyl p-cresyl carbonate;Ethyl 4-methylphenyl carbonate;O1F0G626ZX;NSC 9016;NSC-9016;EINECS 245-175-6;AI3-07453;ethyl p - tolyl carbonate;UNII-O1F0G626ZX;SCHEMBL1598705;DTXSID9051878;NSC9016;CARBONIC ACID ETHYL 4-METHYLPHENYL ESTER

Chemical Property of Ethyl p-tolyl carbonate

Chemical Property:

• Vapor Pressure: 0.0123mmHg at 25°C
• Boiling Point: 260.4°Cat760mmHg
• Flash Point: 104.9°C
• PSA: 35.53000
• Density: 1.084g/cm³
• LogP: 2.53030
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl p-tolyl carbonate

There total 6 articles about Ethyl p-tolyl carbonate 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:

ethyl 1-imidazolecarboxylate (19213-72-0) + p-cresol (106-44-5) → 4-methylphenyl ethyl carbonate (22719-81-9)

Guidance literature:

In [D₃]acetonitrile; at 80 ℃; for 24h; Inert atmosphere; Sealed vial;

DOI:10.1016/j.tet.2011.09.057

Reference yield:

p-cresol (106-44-5) + chloroformic acid ethyl ester (541-41-3) → 4-methylphenyl ethyl carbonate (22719-81-9)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.2174/1573406411309030009

Reference yield:

4-methylphenyl methyl carbonate (1848-01-7) → 4-methylphenyl ethyl carbonate (22719-81-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 16 h / Inert atmosphere; Heating

2: [D₃]acetonitrile / 24 h / 80 °C / Inert atmosphere; Sealed vial

In [D₃]acetonitrile;

DOI:10.1016/j.tet.2011.09.057

upstream raw materials:

potassium p-cresolate

chloroformic acid ethyl ester

ethanol

p-tolyl chloroformate

Downstream raw materials:

di-p-tolyl carbonate

Diethyl carbonate

Refernces

• 1、 Heller, Stephen T.,Sarpong, Richmond. "On the reactivity of imidazole carbamates and ureas and their use as esterification and amidation reagents". experimental part. p. 8851 - 8859. Retrieved 2011/12/02.