2-[2-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester

Base Information

• Chemical Name: 2-[2-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
• CAS No.: 317319-35-0
• Molecular Formula: C14H11F4NO2S
• Molecular Weight: 333.306
• Hs Code.: 2934100090
• Mol file: 317319-35-0.mol

Synonyms:Ethyl2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolecarboxylate;

Chemical Property of 2-[2-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester

Chemical Property:

• Vapor Pressure: 1.11E-05mmHg at 25°C
• Melting Point: 68～70℃
• Refractive Index: 1.51
• Boiling Point: 370.4°C at 760 mmHg
• PKA: 0.05±0.10(Predicted)
• Flash Point: 177.8°C
• PSA: 67.43000
• Density: 1.355g/cm³
• LogP: 4.45310

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-[2-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester

There total 2 articles about 2-[2-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester 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:

tiolacetic acid (507-09-5) + ethyl 2-chloro-3-oxo-butyrate (609-15-4) + 2-fluoro-4-(trifluoromethyl)benzonitrile (146070-34-0) → 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester (317319-35-0)

Guidance literature:

tiolacetic acid; 2-fluoro-4-(trifluoromethyl)benzonitrile; With boron trifluoride diethyl etherate; In toluene; at 20 ℃; for 4h;

ethyl 2-chloro-3-oxo-butyrate; In toluene; at 100 ℃; for 14h;

Reference yield:

C8H5F4NS (317319-34-9) + ethyl 2-chloro-3-oxo-butyrate (609-15-4) → 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester (317319-35-0)

Guidance literature:

In toluene; at 100 ℃; for 16h;

DOI:10.1021/op8002294

Reference yield: 91.0%

2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester (317319-35-0) → 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolemethanol (317319-36-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -15 - -10 ℃; for 2h;

DOI:10.1021/op8002294

upstream raw materials:

C₈H₅F₄NS

ethyl 2-chloro-3-oxo-butyrate

tiolacetic acid

2-fluoro-4-(trifluoromethyl)benzonitrile

Downstream raw materials:

2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolemethanol

Refernces

• 1、 -. "PROCESS FOR PREPARATION OF CHEMICAL COMPOUNDS". Page/Page column 34-35. . Retrieved 2010/02/07.