Ethyl 2-(2-(3-(trifluoromethyl)phenyl)thiazol-4-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(2-(3-(trifluoromethyl)phenyl)thiazol-4-yl)acetate
• CAS No.: 78743-00-7
• Molecular Formula: C14H12F3NO2S
• Molecular Weight: 315.31
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID40513806
• Wikidata: Q82373793
• Mol file: 78743-00-7.mol

Synonyms:78743-00-7;Ethyl 2-(2-(3-(trifluoromethyl)phenyl)thiazol-4-yl)acetate;ethyl 2-{2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}acetate;ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate;ETHYL 2-(2-[3-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-4-YL)ACETATE;DTXSID40513806;MFCD08056653;AKOS005070842;FT-0680546;6Z-0712;A864981;J-520580;Ethyl {2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}acetate

Chemical Property of Ethyl 2-(2-(3-(trifluoromethyl)phenyl)thiazol-4-yl)acetate

Chemical Property:

• Vapor Pressure: 3.98E-06mmHg at 25°C
• Melting Point: 60-62°
• Boiling Point: 384.8°C at 760 mmHg
• Flash Point: 186.5°C
• PSA: 67.43000
• Density: 1.312g/cm³
• LogP: 3.93450
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 315.05408429
• Heavy Atom Count: 21
• Complexity: 365

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-{2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}acetate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CSC(=N1)C2=CC(=CC=C2)C(F)(F)F

Technology Process of Ethyl 2-(2-(3-(trifluoromethyl)phenyl)thiazol-4-yl)acetate

There total 1 articles about Ethyl 2-(2-(3-(trifluoromethyl)phenyl)thiazol-4-yl)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: 57.0%

ethyl (2-chloroaceto)acetate (638-07-3) + 3-(trifluoromethyl)benzothioamide (53515-17-6) → [2-(3-Trifluoromethyl-phenyl)-thiazol-4-yl]-acetic acid ethyl ester (78743-00-7)

Guidance literature:

In ethanol; for 4h; Heating;

DOI:10.1021/jm00359a015

Reference yield: 70.0%

[2-(3-Trifluoromethyl-phenyl)-thiazol-4-yl]-acetic acid ethyl ester (78743-00-7) → 2-[2-(3-Trifluoromethyl-phenyl)-thiazol-4-yl]-acetamide (78743-06-3)

Guidance literature:

With ammonium hydroxide; In 1,4-dioxane; for 120h; Ambient temperature;

DOI:10.1021/jm00359a015

Reference yield:

[2-(3-Trifluoromethyl-phenyl)-thiazol-4-yl]-acetic acid ethyl ester (78743-00-7) → 3-Hydroxy-4-[2-(3-trifluoromethyl-phenyl)-thiazol-4-yl]-pyrrole-2,5-dione (78764-60-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / NH₄OH / dioxane / 120 h / Ambient temperature

2: 69 percent / t-BuOK / dimethylformamide / Ambient temperature

With ammonium hydroxide; potassium tert-butylate; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1021/jm00359a015

upstream raw materials:

ethyl (2-chloroaceto)acetate

3-(trifluoromethyl)benzothioamide

Downstream raw materials:

2-[2-(3-Trifluoromethyl-phenyl)-thiazol-4-yl]-acetamide

3-Hydroxy-4-[2-(3-trifluoromethyl-phenyl)-thiazol-4-yl]-pyrrole-2,5-dione

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