Methyl 2-oxo-2-(o-tolyl)acetate

Base Information

• Chemical Name: Methyl 2-oxo-2-(o-tolyl)acetate
• CAS No.: 34966-54-6
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID10396148
• Nikkaji Number: J1.930.133H
• Wikidata: Q72492949
• Mol file: 34966-54-6.mol

Synonyms:34966-54-6;Methyl 2-oxo-2-(o-tolyl)acetate;methyl 2-(2-methylphenyl)-2-oxoacetate;methyl 2-oxo-2-o-tolylacetate;METHYL 2-METHYLBENZOYLFORMATE;o-Tolylglyoxylic Acid Methyl Ester;Methyl 2-Oxo-2-(2-methylphenyl)acetate;2-Methyl-oxo-benzeneacetic acid methyl ester;Methyl o-methyl phenyl glyoxylate;METHYL 2-METHYLPHENYLGLYOXYLATE;Methyl2-oxo-2-(o-tolyl)acetate;methyl oxo-o-tolyl-acetate;methyl o-methylbenzoylformate;methyl 2-methylphenylglyoxalate;2-NITROPHENYLARSONICACID;SCHEMBL2705722;methyl 2-methylphenyl-glyoxylate;DTXSID10396148;QMJRGFDWGOXABE-UHFFFAOYSA-N;methyl (2-methylphenyl)(oxo)acetate;AC5965;MFCD00966053;AKOS006274270;SY235497;(2-Methylphenyl)oxoacetic acid methyl ester;A6138;CS-0323417;FT-0658393;J-019817;Oxo-o-tolyl-acetic acid methyl ester

Chemical Property of Methyl 2-oxo-2-(o-tolyl)acetate

Chemical Property:

• Vapor Pressure: 0.00563mmHg at 25°C
• Refractive Index: 1.516
• Boiling Point: 273.7 °C at 760 mmHg
• Flash Point: 120.2 °C
• PSA: 43.37000
• Density: 1.133 g/cm³
• LogP: 1.34650
• Solubility.: DCM, Ethyl Acetate
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

o-TolylglyoxylicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(=O)C(=O)OC
• Uses: o-Tolylglyoxylic Acid Methyl Ester is an intermediate in the synthesis of Trifloxystrobin (T778900), a broad-spectrum foliar fungicide used in plant protection.

Technology Process of Methyl 2-oxo-2-(o-tolyl)acetate

There total 24 articles about Methyl 2-oxo-2-(o-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: 98.0%

methyl α-(2-methylphenyl)-α-diazoacetate → methyl 2-oxo-2-(o-tolyl)acetate (34966-54-6)

Guidance literature:

With water; diethylazodicarboxylate; dirhodium tetraacetate; In toluene; for 4h; Heating;

DOI:10.1055/s-2006-950412

Reference yield: 92.0%

2,2-Bis-benzotriazol-1-yl-2-methoxy-1-o-tolyl-ethanone → methyl 2-oxo-2-(o-tolyl)acetate (34966-54-6)

Guidance literature:

With Amberlite H⁺ ion exchange resin IR-120 HPC; water; In methanol; Heating;

Reference yield: 83.0%

methanol (67-56-1) + 2-methylbenzoyl cyanide (5955-73-7) → methyl 2-oxo-2-(o-tolyl)acetate (34966-54-6)

Guidance literature:

2-methylbenzoyl cyanide; With sulfuric acid; water; sodium bromide; for 1h;

methanol; for 2h; Heating / reflux;

upstream raw materials:

methanol

2-methylbenzoyl cyanide

methyl 2,2-dichloro-2-methoxyacetate

toluene

Downstream raw materials:

2-hydroxy-2-o-tolylpropionic acid methyl ester

methyl-(E)-2-(2-tolyl)-2-methoxyiminoacetate

(Z)-2-(2-tolyl)-2-methoxyiminoacetic acid methyl ester

(R)-methyl 2-cyano-2-(2-methylphenyl)-2-trimethylsiloxyacetate

Refernces

• 1、 Fan, Zhengning,Yi, Yaping,Chen, Shenhao,Xi, Chanjuan. "Visible-Light-Induced Catalyst-Free Carboxylation of Acylsilanes with Carbon Dioxide". . p. 2303 - 2307. Retrieved 2021/04/05.
• 2、 -. "Novel synthesis method of alpha-carbonyl acid ester". Paragraph 0016; 0044; 0048-0049. . Retrieved 2020/07/21.