Methyl 2-(2-methylphenyl)propanoate

Base Information

• Chemical Name: Methyl 2-(2-methylphenyl)propanoate
• CAS No.: 79443-97-3
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80446008
• Mol file: 79443-97-3.mol

Synonyms:Methyl 2-(2-methylphenyl)propanoate;74082-02-3;SCHEMBL6017451;DTXSID80446008;Methyl2-(2-methylphenyl)propanoate;AKOS011680627;EN300-132074

Chemical Property of Methyl 2-(2-methylphenyl)propanoate

Chemical Property:

• Boiling Point: 111-112 °C(Press: 13 Torr)
• PSA: 26.30000
• Density: 1.013±0.06 g/cm3(Predicted)
• LogP: 2.27150
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

ALPHA-4-DIMETHYL-BENZENEACETIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(C)C(=O)OC

Technology Process of Methyl 2-(2-methylphenyl)propanoate

There total 22 articles about Methyl 2-(2-methylphenyl)propanoate 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: 98.0%

4'-methylpropiophenone (5337-93-9) + trimethyl orthoformate (149-73-5) → methyl 2-(4-methylphenyl)propanoate (79443-97-3)

Guidance literature:

With sulfuric acid; 3-[4-(diacetoxyiodo)phenoxy]-1-propyl-N,N,N-trimethylammonium 4-methylbenzenesulfonate; at 60 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.tet.2013.02.017

Reference yield: 95.0%

(R,S)-2-(4'-methylphenyl) propionic acid (938-94-3) + methyl iodide (74-88-4) → methyl 2-(4-methylphenyl)propanoate (79443-97-3)

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 20 ℃; for 48h;

DOI:10.1016/j.ejmech.2013.03.060

Reference yield: 89.2%

methanol (67-56-1) + 1-ethenyl-4-methylbenzene (622-97-9,24936-41-2) + carbon monoxide (201230-82-2) → methyl 2-(4-methylphenyl)propanoate (79443-97-3)

Guidance literature:

With 0.17percent Pd-P-OP/LSI-600 catalyst; In toluene; at 80 ℃; for 3.5h; under 22502.3 Torr; Autoclave;

DOI:10.1039/c3cy00842h

upstream raw materials:

methanol

2-bromo-4'-methylpropiophenone

(R)-(+)-methyl 4-diazo-2-methyl-2-(4-methylphenyl)-3-oxobutanoate

propan-1-ol

Downstream raw materials:

methyl 2-methyl-5-oxo-2-p-tolylheptanoate

methyl 2-methyl-2-(4-methylphenyl)propanoate

methyl 2-(4-(bromomethyl)phenyl)-2-methylpropanoate

methyl α-(p-methylphenyl)propionate

Refernces

• 1、 Guan, Zheng-Hui,Ren, Zhi-Hui,Wang, Yuan,Yang, Hui-Yi,Yao, Ya-Hong,Zou, Xian-Jin. "Palladium-Catalyzed Asymmetric Markovnikov Hydroxycarbonylation and Hydroalkoxycarbonylation of Vinyl Arenes: Synthesis of 2-Arylpropanoic Acids". supporting information. p. 23117 - 23122. Retrieved 2021/09/18.
• 2、 Alkayal, Anas,Buckley, Benjamin R.,Malkov, Andrei V.,Montanaro, Stephanie,Tabas, Volodymyr,Wright, Iain A.. "Harnessing Applied Potential: Selective β-Hydrocarboxylation of Substituted Olefins". supporting information. . Retrieved 2020/02/13.