Fumaric acid bis(4-methylphenyl) ester

Base Information

• Chemical Name: Fumaric acid bis(4-methylphenyl) ester
• CAS No.: 53164-47-9
• Molecular Formula: C₁₈H₁₆O₄
• Molecular Weight: 296.323
• NSC Number: 155505
• Nikkaji Number: J1.534.889E
• Mol file: 53164-47-9.mol

Synonyms:NSC155505;Fumaric acid bis(4-methylphenyl) ester;53164-47-9;SCHEMBL8166082;SCHEMBL8998925;NSC-155505

Chemical Property of Fumaric acid bis(4-methylphenyl) ester

Chemical Property:

• Vapor Pressure: 3.73E-08mmHg at 25°C
• Boiling Point: 446.2°C at 760 mmHg
• Flash Point: 225°C
• Density: 1.177g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 296.10485899
• Heavy Atom Count: 22
• Complexity: 361

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OC(=O)C=CC(=O)OC2=CC=C(C=C2)C
• Isomeric SMILES: CC1=CC=C(C=C1)OC(=O)/C=C/C(=O)OC2=CC=C(C=C2)C

Technology Process of Fumaric acid bis(4-methylphenyl) ester

There total 2 articles about Fumaric acid bis(4-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:

p-cresol (106-44-5) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) → bis(4-methylphenyl) fumarate (53164-47-9)

Guidance literature:

With hydrogenchloride; at 170 ℃;

Reference yield:

p-cresol (106-44-5) + fumaryl dichloride (627-63-4) → bis(4-methylphenyl) fumarate (53164-47-9)

Guidance literature:

Reference yield: 70.0%

2.9-dimethyl-1,10-phenanthroline (484-11-7) + PtCl(methyl)(dimethyl sulfide)2 + bis(4-methylphenyl) fumarate (53164-47-9) → [PtClMe(2,9-dimethyl-1,10-phenanthroline)(bis(4-methylphenyl) fumarate)]

Guidance literature:

In chloroform; for 48h; Reflux;

DOI:10.1002/ejic.201500523

upstream raw materials:

p-cresol

fumaryl dichloride

(2E)-but-2-enedioic acid

Downstream raw materials:

(E)-4,4'-dimethylstilbene

(E)-1,4-Bis-(2-hydroxy-5-methyl-phenyl)-but-2-ene-1,4-dione