Benzoic acid, 4-methyl-, 4-methylphenyl ester

Base Information

• Chemical Name: Benzoic acid, 4-methyl-, 4-methylphenyl ester
• CAS No.: 15024-08-5
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• DSSTox Substance ID: DTXSID70473161
• Nikkaji Number: J916.699H
• Wikidata: Q82302355
• Mol file: 15024-08-5.mol

Synonyms:Benzoic acid, 4-methyl-, 4-methylphenyl ester;p-tolyl p-toluate;15024-08-5;p-Methylphenyl p-methylbenzoate;SCHEMBL1101878;4-methylphenyl 4-methylbenzoate;DTXSID70473161;AKOS003498264

Chemical Property of Benzoic acid, 4-methyl-, 4-methylphenyl ester

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzoic acid, 4-methyl-, 4-methylphenyl ester

There total 14 articles about Benzoic acid, 4-methyl-, 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: 99.0%

p-cresol (106-44-5) + p-Toluic acid (99-94-5) → 4-methylphenyl 4-methylbenzoate (15024-08-5)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; at 65 ℃; for 16h; Further Variations:; Solvents; Product distribution;

DOI:10.1016/j.tetlet.2007.03.095

Reference yield: 93.0%

p-cresol (106-44-5) + 4-methylbenzoic dithioperoxyanhydride (15088-74-1) → 4-methylphenyl 4-methylbenzoate (15024-08-5)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/acs.orglett.6b02818

Reference yield: 92.0%

p-cresol (106-44-5) + carbon monoxide (201230-82-2) → 4-methylphenyl 4-methylbenzoate (15024-08-5)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; n-butyl sulfonyl fluoride; triethylamine; In toluene; at 100 ℃; for 16h; under 750.075 Torr; Autoclave; Inert atmosphere;

DOI:10.1002/chem.201103797

upstream raw materials:

pyridine

p-cresol

para-chlorotoluene

p-methylbenzoic anhydride

Downstream raw materials:

6-methyl-3-phenyl-4-p-tolyl-coumarin

(2-Benzoyl-4-methyl-phenoxy)-p-tolyl-acetic acid ethyl ester

(2-Benzoyl-4-methyl-phenoxy)-p-tolyl-acetic acid

p-Toluic acid

Refernces

• 1、 Nowrouzi, Najmeh,Abbasi, Mohammad,Bagheri, Maryam. "Sodium cyanide-promoted copper-catalysed aerobic oxidative synthesis of esters from aldehydes". . . Retrieved 2017/09/30.
• 2、 Xu, Tongyu,Alper, Howard. "Pd-catalyzed chemoselective carbonylation of aminophenols with iodoarenes: Alkoxycarbonylation vs aminocarbonylation". supporting information. p. 16970 - 16973. Retrieved 2015/02/02.