Ethyl 4-fluoro-2-methylbenzoate

Base Information

• Chemical Name: Ethyl 4-fluoro-2-methylbenzoate
• CAS No.: 167758-88-5
• Molecular Formula: C10H11FO2
• Molecular Weight: 182.195
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID601022760
• Mol file: 167758-88-5.mol

Synonyms:ETHYL 4-FLUORO-2-METHYLBENZOATE;167758-88-5;4-Fluoro-2-methylbenzoic acid ethyl ester;Benzoic acid, 4-fluoro-2-methyl-, ethyl ester;MFCD06204529;ethyl 5-fluoro-o-toluate;SCHEMBL5247862;Ethyl 4-fluoro-2-methyl-benzoate;DTXSID601022760;AKOS006293745;ETHYL4-FLUORO-2-METHYLBENZOATE;BS-21698;SY200019;DB-085910;CS-0159919;D97334;EN300-204884;Z1198166822

Chemical Property of Ethyl 4-fluoro-2-methylbenzoate

Chemical Property:

• Vapor Pressure: 0.0828mmHg at 25°C
• Boiling Point: 226.2°C at 760 mmHg
• Flash Point: 88.2°C
• PSA: 26.30000
• Density: 1.108g/cm³
• LogP: 2.31080
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 182.07430775
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

ethyl4-fluoro-2-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=C(C=C1)F)C

Technology Process of Ethyl 4-fluoro-2-methylbenzoate

There total 3 articles about Ethyl 4-fluoro-2-methylbenzoate 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: 94.0%

ethanol (64-17-5) + 4-fluoro-2-methylbenzoic acid (321-21-1) → ethyl 4-fluoro-2-methylbenzoate (167758-88-5)

Guidance literature:

With thionyl chloride; at 20 - 78 ℃; for 8h;

Reference yield: 85.8%

4-fluoro-2-methylbenzoic acid (321-21-1) + ethyl iodide (75-03-6) → ethyl 4-fluoro-2-methylbenzoate (167758-88-5)

Guidance literature:

4-fluoro-2-methylbenzoic acid; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.75h;

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

Reference yield:

2-Bromo-5-fluorotoluene (452-63-1) + chloroformic acid ethyl ester (541-41-3) → ethyl 4-fluoro-2-methylbenzoate (167758-88-5)

Guidance literature:

With magnesium; In tetrahydrofuran;

upstream raw materials:

2-Bromo-5-fluorotoluene

chloroformic acid ethyl ester

ethanol

4-fluoro-2-methylbenzoic acid

Downstream raw materials:

4-(3-(3-fluoro-5-(trifluoromethyl)benzyl)-5-methyl-1H-1,2,4-triazol-1-yl)-2-methylbenzamide