Bis(4-methylbenzyl) oxalate

Base Information

• Chemical Name: Bis(4-methylbenzyl) oxalate
• CAS No.: 18241-31-1
• Molecular Formula: C18H18 O4
• Molecular Weight: 298.339
• Hs Code.: 2917119000
• European Community (EC) Number: 406-470-7
• DSSTox Substance ID: DTXSID8066343
• Nikkaji Number: J261.933D
• Wikidata: Q72446347
• Mol file: 18241-31-1.mol

Synonyms:18241-31-1;Bis(4-methylbenzyl) oxalate;bis[(4-methylphenyl)methyl] oxalate;Bis(p-methylbenzyl)oxalate;Ethanedioic acid, bis[(4-methylphenyl)methyl] ester;Bis(4-methylbenzyl)oxalate;Ethanedioic acid, bis((4-methylphenyl)methyl) ester;Ethanedioic acid, 1,2-bis((4-methylphenyl)methyl) ester;Ethanedioic acid, 1,2-bis[(4-methylphenyl)methyl] ester;(+)-Dehydroabieticacid;di(p-methylbenzyl)oxalat;di(p-methylbenzyl) oxalate;di(4-methylbenzyl) oxalate;SCHEMBL26555;Bis-(4-methylbenzyl)-oxalate;DTXSID8066343;AKOS016845834;Oxalic acid bis(4-methylbenzyl) ester;Oxalic acid, bis(p-methylbenzyl) ester;AC-24991;AS-70023;D95661;A851834

Chemical Property of Bis(4-methylbenzyl) oxalate

Chemical Property:

• Vapor Pressure: 3.21E-07mmHg at 25°C
• Boiling Point: 418.7 °C at 760 mmHg
• Flash Point: 183.6 °C
• PSA: 52.60000
• Density: 1.167 g/cm³
• LogP: 3.09000
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 298.12050905
• Heavy Atom Count: 22
• Complexity: 327

Purity/Quality:

99% ^*data from raw suppliers

Bis(4-methylbenzyl)oxalate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)COC(=O)C(=O)OCC2=CC=C(C=C2)C

Technology Process of Bis(4-methylbenzyl) oxalate

There total 4 articles about Bis(4-methylbenzyl) oxalate 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: 95.0%

potassium oxalate (583-52-8) + 4-Methylbenzyl chloride (104-82-5) → bis((4-methylphenyl)methyl)oxalate (18241-31-1)

Guidance literature:

potassium oxalate; 4-Methylbenzyl chloride; In N,N-dimethyl acetamide; at 50 ℃; for 0.25h;

With sodium dodecyl-sulfate; potassium hydroxide; In N,N-dimethyl acetamide; at 50 - 110 ℃; for 6h; pH=9 - 11; Reagent/catalyst;

Reference yield:

4-Methylbenzyl alcohol (589-18-4) + oxalic acid (144-62-7,97993-78-7) → bis((4-methylphenyl)methyl)oxalate (18241-31-1)

Guidance literature:

DOI:10.1021/ja01013a020

Reference yield:

→ bis((4-methylphenyl)methyl)oxalate (18241-31-1)

Guidance literature:

upstream raw materials:

4-Methylbenzyl alcohol

oxalic acid

oxalyl dichloride

potassium oxalate

Downstream raw materials:

1,2-di-p-tolylethane

4-methylbibenzyl

1,1'-(1,2-ethanediyl)bisbenzene

Refernces

• 1、 -. "Synthesis method of bis(4-methylbenzyl) oxalate for heat sensitive sensitizer". Paragraph 0017-0032. . Retrieved 2021/03/25.
• 2、 -. "Recording material and recording sheet". . . Retrieved 2008/12/06.