Methyl 2-methyl-3-(trifluoromethyl)benzoate

Base Information

• Chemical Name: Methyl 2-methyl-3-(trifluoromethyl)benzoate
• CAS No.: 346603-63-2
• Molecular Formula: C10H9F3O2
• Molecular Weight: 218.175
• Hs Code.: 9999999999
• European Community (EC) Number: 870-696-6
• DSSTox Substance ID: DTXSID10591196
• Wikidata: Q72492001
• Mol file: 346603-63-2.mol

Synonyms:Methyl 2-methyl-3-(trifluoromethyl)benzoate;346603-63-2;MFCD14698066;Methyl2-methyl-3-(trifluoromethyl)benzoate;SCHEMBL726068;2-methyl-3-trifluoromethyl-benzoic acid methyl ester;AMY6573;DTXSID10591196;AKOS016013872;GS-5436;SY056954;DB-334787;CS-0153517;A874909

Chemical Property of Methyl 2-methyl-3-(trifluoromethyl)benzoate

Chemical Property:

• Boiling Point: 220℃
• Flash Point: 68℃
• PSA: 26.30000
• Density: 1.231
• LogP: 2.80040
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 218.05546401
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-methyl-3-(trifluoromethyl)benzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-methyl-3-(trifluoromethyl)benzoate

There total 3 articles about Methyl 2-methyl-3-(trifluoromethyl)benzoate 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: 89.0%

methanol (67-56-1) + 2-methyl-3-(trifluoromethyl)benzoic acid (62089-35-4) → methyl 2-methyl-3-(trifluoromethyl)benzoate (346603-63-2)

Guidance literature:

sulfuric acid; Reflux;

Reference yield: 88.6%

2-methyl-3-(trifluoromethyl)benzoic acid (62089-35-4) + methyl iodide (74-88-4) → methyl 2-methyl-3-(trifluoromethyl)benzoate (346603-63-2)

Guidance literature:

3-(trifluoromethyl)-2-methylbenzoic acid; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

methyl iodide; In N,N-dimethyl-formamide;

Reference yield:

2,2-difluoro-2-(fluorosulfonyl)acetate (680-15-9) + methyl 3-iodo-2-methylbenzoate (52570-33-9) → methyl 2-methyl-3-(trifluoromethyl)benzoate (346603-63-2)

Guidance literature:

copper(l) iodide; In DMF (N,N-dimethyl-formamide); at 80 ℃; for 16h;

upstream raw materials:

2,2-difluoro-2-(fluorosulfonyl)acetate

methyl 3-iodo-2-methylbenzoate

methanol

2-methyl-3-(trifluoromethyl)benzoic acid

Downstream raw materials:

[2-methyl-3-(trifluoromethyl)phenyl]methanol-d2

(S)-4-methylsulfanyl-2-(1-oxo-4-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-butyric acid methyl ester

methyl 2-(bromomethyl)-3-(trifluoromethyl)benzoate