Methyl o-tolylacetate

Base Information

• Chemical Name: Methyl o-tolylacetate
• CAS No.: 40851-62-5
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Hs Code.: 2916399090
• European Community (EC) Number: 838-079-6
• DSSTox Substance ID: DTXSID40427373
• Nikkaji Number: J2.444.509G
• Wikidata: Q82240031
• Mol file: 40851-62-5.mol

Synonyms:Methyl o-tolylacetate;40851-62-5;methyl 2-(2-methylphenyl)acetate;Methyl 2-(o-tolyl)acetate;methyl 2-o-tolylacetate;MFCD00082780;2-Methyl-benzeneacetic acid methyl ester;Diethyl-3-methylglutaconate;methyl 2-methylphenylacetate;methyl 2-methylphenyl-acetate;SCHEMBL265432;methyl (2-methylphenyl)acetate;AMY387;methyl (2-methyl phenyl)acetate;DTXSID40427373;BLEMRRXGTKTJGT-UHFFFAOYSA-N;AKOS008954992;2-Methylbenzeneacetic acid methyl ester;2-methylphenyl acetic acid methyl ester;AS-58590;SY106492;CS-0088539;FT-0628770;D74700;EN300-109200

Chemical Property of Methyl o-tolylacetate

Chemical Property:

• Vapor Pressure: 0.068mmHg at 25°C
• Refractive Index: 1.5110
• Boiling Point: 229.8°Cat760mmHg
• Flash Point: 101.9°C
• PSA: 26.30000
• Density: 1.035g/cm³
• LogP: 1.71050
• 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-(2-Methylphenyl)acetate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CC(=O)OC
• Uses: Methyl o-tolylacetate is used as pharmaceutical intermediates.

Technology Process of Methyl o-tolylacetate

There total 16 articles about Methyl o-tolylacetate 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: 100.0%

methanol (67-56-1) + o-methylphenylacetic acid (644-36-0) → methyl o-tolylacetate (40851-62-5)

Guidance literature:

With sulfuric acid; at 0 ℃; for 8h; Reflux; Inert atmosphere;

DOI:10.1021/jacs.9b05932 DOI:10.1021/jacs.9b05932

Reference yield: 98.0%

o-methylphenylacetic acid (644-36-0) → methyl o-tolylacetate (40851-62-5)

Guidance literature:

With sulfuric acid; In methanol;

Reference yield: 94.0%

1-chloromethyl-2-methylbenzene (552-45-4) → methyl o-tolylacetate (40851-62-5)

Guidance literature:

upstream raw materials:

diazomethane

o-methylphenylacetic acid

o-(methoxycarbonylmethyl)benzoic acid

methanol

Downstream raw materials:

methyl 2-[2-(bromomethyl)phenyl]acetate

2-Methylphenylacetylguanidin

dimethyl 2-(2-methylphenyl)malonate

(5-chlorosulfonyl-2-methyl-phenyl)-acetic acid methyl ester

Refernces

• 1、 Coles, Simon J.,Hareram, Mishra Deepak,Harnedy, James,Morrill, Louis C.,Tizzard, Graham J.. "Electrochemical oxidative: Z -selective C(sp2)-H chlorination of acrylamides". supporting information. p. 12643 - 12646. Retrieved 2021/12/07.
• 2、 Chen, Xiangyang,Hao, Jiping,Houk, K. N.,Li, Yingzi,Lou, Liguang,Quan, Haitian,Song, Bichao,Wang, Lu,Xia, Yuanzhi,Xie, Peipei,Xu, Zhongliang,Yang, Weibo. "Pd-Catalyzed Decarboxylative Olefination: Stereoselective Synthesis of Polysubstituted Butadienes and Macrocyclic P-glycoprotein Inhibitors". supporting information. p. 9982 - 9992. Retrieved 2020/06/27.