4-Methylphenyl 4-methoxybenzoate

Base Information

• Chemical Name: 4-Methylphenyl 4-methoxybenzoate
• CAS No.: 58600-95-6
• Molecular Formula: C15H14O3
• Molecular Weight: 242.274
• European Community (EC) Number: 439-300-5
• DSSTox Substance ID: DTXSID101246874
• Nikkaji Number: J3.559.335G
• Mol file: 58600-95-6.mol

Synonyms:4-methylphenyl 4-methoxybenzoate;58600-95-6;SCHEMBL9905861;DTXSID101246874;MFCD00505980;4-Methoxy-benzoic acid p-tolyl ester;AKOS000503617;NCGC00325917-01;NS00004929;AB01320896-02;Benzoic acid, 4-methoxy-, 4-methylphenyl ester

Chemical Property of 4-Methylphenyl 4-methoxybenzoate

Chemical Property:

• PSA: 35.53000
• LogP: 3.22280
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 261

Purity/Quality:

99% ^*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)C2=CC=C(C=C2)OC

Technology Process of 4-Methylphenyl 4-methoxybenzoate

There total 17 articles about 4-Methylphenyl 4-methoxybenzoate 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: 96.0%

p-cresol (106-44-5) + 4-methoxybenzoic dithioperoxyanhydride (15088-73-0) → 4-methylphenyl 4-methoxybenzoate (58600-95-6)

Guidance literature:

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

DOI:10.1021/acs.orglett.6b02818

Reference yield: 92.0%

1-(4-Methoxybenzoyl)pyrrolidine-2,5-dione (6343-26-6) + 4-methylphenylboronic acid (5720-05-8) → 4-methylphenyl 4-methoxybenzoate (58600-95-6)

Guidance literature:

With tert.-butylhydroperoxide; dmap; In water; toluene; at 100 ℃; for 12h; Schlenk technique;

DOI:10.1002/ejoc.202100478

Reference yield: 82.0%

1-acetoxy-4-methylbenzene (140-39-6) + 4-methoxybenzoic acid (100-09-4) → 4-methylphenyl 4-methoxybenzoate (58600-95-6)

Guidance literature:

With phosphotungstic acid; In 5,5-dimethyl-1,3-cyclohexadiene; at 160 - 170 ℃; Reagent/catalyst;

DOI:10.2174/1570178612666150115235650

upstream raw materials:

p-cresol

carbon monoxide

para-iodoanisole

bis(4-methoxybenzoyl) peroxide

Downstream raw materials:

2-hydroxy-4'-methoxy-5-methyl-benzophenone

ethyl [2-(4-methoxybenzoyl)-4-methylphenoxy]acetate

[2-(4-methoxy-benzoyl)-4-methyl-phenoxy]-acetic acid