Methyl 2-(m-tolyl)acetate

Base Information

• Chemical Name: Methyl 2-(m-tolyl)acetate
• CAS No.: 53088-69-0
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30408656
• Nikkaji Number: J47.045G
• Wikidata: Q63391953
• Mol file: 53088-69-0.mol

Synonyms:Methyl 2-(m-tolyl)acetate;53088-69-0;methyl 3-methylphenylacetate;methyl 2-(3-methylphenyl)acetate;m-tolylacetic acid methyl ester;methyl 2-m-tolylacetate;MFCD00968468;Benzeneacetic acid, 3-methyl-, methyl ester;3-Methylphenylacetic acid methyl ester;SCHEMBL1107144;m-toly-acetic acid methyl ester;m-tolyl-acetic acid methyl ester;DTXSID30408656;AWTKFTNNPQGGLX-UHFFFAOYSA-N;AKOS011674533;AS-59593;SY083835;CS-0088535;FT-0751129;A829396;Q63391953

Chemical Property of Methyl 2-(m-tolyl)acetate

Chemical Property:

• Vapor Pressure: 0.0798mmHg at 25°C
• Refractive Index: 1.5045-1.5065
• Boiling Point: 226.9°Cat760mmHg
• Flash Point: 99.8°C
• PSA: 26.30000
• Density: 1.035g/cm³
• LogP: 1.71050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-(m-tolyl)acetate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-(m-tolyl)acetate

There total 9 articles about Methyl 2-(m-tolyl)acetate 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%

methanol (67-56-1) + m-methylphenylacetic acid (621-36-3) → methyl 3-methylphenylacetate (53088-69-0)

Guidance literature:

With thionyl chloride; at 20 ℃; for 2h; Cooling with ice;

DOI:10.1021/jm100070n

Reference yield: 85.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + N-methyl-1-(m-tolyl)methanamine (39180-84-2) → methyl 3-methylphenylacetate (53088-69-0)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; carbonic acid dimethyl ester; 1,4-di(diphenylphosphino)-butane; at 140 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acscatal.7b04116

Reference yield:

3-methyl-1-p-tolyltriazene (20667-76-9,20667-77-0,21124-13-0) + m-methylphenylacetic acid (621-36-3) → methyl 3-methylphenylacetate (53088-69-0) + p-toluidine (106-49-0,12221-03-3)

Guidance literature:

In acetone; at 25 ℃; Rate constant;

upstream raw materials:

methanol

m-methylphenylacetic acid

diazomethane

3-methyl-1-p-tolyltriazene

Downstream raw materials:

methyl 2-[2-(3-methylphenyl)acetyl]hydrazinecarboxylate

methyl 3-methylphenylglyoxylate

Refernces

• 1、 Guo, Jing,Mandal, Dipendu,Stephan, Douglas W.,Wu, Yile,Zhao, Yunbo. "B(C6F5)3-Catalyzed site-selective N1-alkylation of benzotriazoles with diazoalkanes". supporting information. p. 7758 - 7761. Retrieved 2021/08/13.
• 2、 Wei, Kaijie,Yang, Tonghao,Chen, Qing,Liang, Siyu,Yu, Wei. "Iron-catalysed 1,2-aryl migration of tertiary azides". supporting information. p. 11685 - 11688. Retrieved 2020/10/19.