Bis(4-methylphenyl) butanedioate

Base Information

• Chemical Name: Bis(4-methylphenyl) butanedioate
• CAS No.: 16093-57-5
• Molecular Formula: C18H18O4
• Molecular Weight: 298.339
• DSSTox Substance ID: DTXSID80563486
• Nikkaji Number: J1.281.839D
• Wikidata: Q82447931
• Mol file: 16093-57-5.mol

Synonyms:di-(p-cresyl) succinate;SCHEMBL645265;Succinic acid di-p-tolyl ester;Bis(4-methylphenyl) butanedioate;DTXSID80563486;16093-57-5

Chemical Property of Bis(4-methylphenyl) butanedioate

Chemical Property:

• XLogP3: 3.7
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bis(4-methylphenyl) butanedioate

There total 1 articles about Bis(4-methylphenyl) butanedioate 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) + succinic acid (110-15-6) → bis(4-methylphenyl)butanedioate (16093-57-5)

Guidance literature:

With trichlorophosphate;

Reference yield: 49.0%

bis(4-methylphenyl)butanedioate (16093-57-5) → 1,4-bis-(2'-hydroxy-5'-methylphenyl)butan-1,4-dion (13282-23-0)

Guidance literature:

With carbon disulfide; aluminium trichloride; at 180 - 185 ℃; for 12.5h;

DOI:10.1021/jo00302a028

Reference yield:

bis(4-methylphenyl)butanedioate (16093-57-5) → 1,4-bis(3-bromo-2-hydroxy-5-methylphenyl)-1,4-butane-dione (128733-94-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 49 percent / AlCl₃, CS₂ / 12.5 h / 180 - 185 °C

2: 88 percent / 2,4,4,4-tetrabromocyclohex-2,5-dienone / CH₂Cl₂ / 0 °C

With carbon disulfide; aluminium trichloride; 2,4,4,4-tetrabromocyclohex-2,5-dienone; In dichloromethane;

DOI:10.1021/jo00302a028

upstream raw materials:

p-cresol

succinic acid

Downstream raw materials:

1,4-bis-(2'-hydroxy-5'-methylphenyl)butan-1,4-dion

1,4-bis(3-bromo-2-hydroxy-5-methylphenyl)-1,4-butane-dione

2,5-bis(3-bromo-2-methoxy-5-methylphenyl)furan

Refernces