Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester

Base Information

• Chemical Name: Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester
• CAS No.: 5359-40-0
• Molecular Formula: C17H18O2
• Molecular Weight: 254.3236
• DSSTox Substance ID: DTXSID70201805
• Nikkaji Number: J2.716.617B
• Wikidata: Q83075025
• Mol file: 5359-40-0.mol

Synonyms:Methyl 4-methyl-alpha-(4-methylphenyl)benzeneacetate;5359-40-0;Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester;SCHEMBL5282428;DTXSID70201805;methyl bis(4-methylphenyl)acetate;PLKOEXFBPPFLIA-UHFFFAOYSA-N;Bis-p-tolylacetic acid, methyl ester;Bis(4-methylphenyl)acetic acid methyl ester

Chemical Property of Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester

Chemical Property:

• Vapor Pressure: 2.45E-05mmHg at 25°C
• Boiling Point: 359°Cat760mmHg
• Flash Point: 135.3°C
• Density: 1.065g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 254.130679813
• Heavy Atom Count: 19
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester

There total 5 articles about Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl 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: 55.0%

methyl p-tolylacetate (23786-13-2) + 5-(p-tolyl)-5H-thianthren-5-ium trifluoromethanesulfonate → methyl 2,2-di(p-tolyl)acetate (5359-40-0)

Guidance literature:

With palladium diacetate; cesium fluoride; XPhos; In N,N-dimethyl-formamide; at 80 ℃; for 11h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.0c02913

Reference yield:

tri(4-tolyl)boroxine (5084-80-0) + methyl (4-methylphenyl)diazoacetate (73764-13-3) → methyl 2,2-di(p-tolyl)acetate (5359-40-0)

Guidance literature:

With diisopropylamine; In 1,2-dichloro-ethane; at 100 ℃; for 13h; Inert atmosphere;

DOI:10.1021/ol900362d

Reference yield:

methanol (67-56-1) + bis-(4-methylphenyl)acetic acid (20809-78-3) → methyl 2,2-di(p-tolyl)acetate (5359-40-0)

Guidance literature:

With hydrogenchloride;

DOI:10.1359/jbmr.2001.16.2.398

upstream raw materials:

methanol

bis-(4-methylphenyl)acetic acid

methyl 2-chloro-2-methoxyacetate

toluene

Downstream raw materials:

bis(p-tolyl)ketene

(1-Methoxy-2,2-di-p-tolyl-vinyloxy)-trimethyl-silane