Ethyl 2-(trifluoromethyl)thiazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-(trifluoromethyl)thiazole-4-carboxylate
• CAS No.: 133046-46-5
• Molecular Formula: C₇H₆F₃NO₂S
• Molecular Weight: 225.191
• Hs Code.: 2934208090
• European Community (EC) Number: 891-088-7
• DSSTox Substance ID: DTXSID80602208
• Wikidata: Q82499175
• Mol file: 133046-46-5.mol

Synonyms:Ethyl 2-(trifluoromethyl)thiazole-4-carboxylate;133046-46-5;ethyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylate;2-Trifluoromethyl-thiazole-4-carboxylic acid ethyl ester;4-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester;MFCD10568298;SCHEMBL1431668;2-(trifluoromethylthiazole)-4-carboxylic acid ethyl ester;DTXSID80602208;AKOS015852870;AS-5424;CS-W006131;SB32852;AC-27143;SY047905;ethyl 2-trifluoromethyl-4-thiazolecarboxylate;ethyl 2-trifluoromethyl-4-thiazole carboxylate;A23720;EN300-207207;Ethyl2-(trifluoromethyl)thiazole-4-carboxylate;Ethyl 2-trifluoromethyl-1,3-thiazole-4-carboxylate;Ethyl 2-trifluoromethyl-1.3-thiazole-4-carboxylate;2-(Trifluoromethyl)thiazole-4-carboxylic acid ethyl ester;4-thiazolecarboxylic acid,2-(trifluoromethyl)-,ethyl ester;4-Thiazolecarboxylicacid,2-(trifluoromethyl)-,ethylester(9ci)

Chemical Property of Ethyl 2-(trifluoromethyl)thiazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.433mmHg at 25°C
• Refractive Index: 1.463
• Boiling Point: 194.8°C at 760 mmHg
• PKA: -2.54±0.10(Predicted)
• Flash Point: 71.6°C
• PSA: 67.43000
• Density: 1.407g/cm³
• LogP: 2.33860
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 225.00713409
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(Trifluoromethyl)thiazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CSC(=N1)C(F)(F)F

Technology Process of Ethyl 2-(trifluoromethyl)thiazole-4-carboxylate

There total 6 articles about Ethyl 2-(trifluoromethyl)thiazole-4-carboxylate 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: 61.0%

ethyl 2-bromothiazole-4-carboxylate (100367-77-9) + dimesityl(trifluoromethyl)sulfonium trifluoromethanesulfonate (1895006-01-5) → Ethyl 2-(trifluoromethyl)thiazole-4-carboxylate (133046-46-5)

Guidance literature:

With copper(I) thiophene-2-carboxylate; 4,7-dimethoxy-1,10-phenanthroline; 1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)-2-trisilanol; [Ir(2-(2,4-difluorophenyl)-5-(methyl)pyridinyl)₂(4,4′-bis(tert-butyl)bipyridine)]*PF₆; sodium carbonate; In acetone; at 35 ℃; Irradiation;

DOI:10.1126/science.aat4133

Reference yield: 43.0%

2,2,2-trifluoroacetamide (354-38-1) + ethyl Bromopyruvate (70-23-5) → Ethyl 2-(trifluoromethyl)thiazole-4-carboxylate (133046-46-5)

Guidance literature:

2,2,2-trifluoroacetamide; With Lawessons reagent; In tetrahydrofuran; at 70 ℃; for 48h;

ethyl Bromopyruvate; In tetrahydrofuran; at 70 ℃; for 18h;

Reference yield: 43.0%

ethyl bromopyruvate + 2,2,2-trifluoroacetamide (354-38-1) → Ethyl 2-(trifluoromethyl)thiazole-4-carboxylate (133046-46-5)

Guidance literature:

2,2,2-trifluoroacetamide; With Lawessons reagent; In tetrahydrofuran; at 70 ℃; for 48h;

ethyl bromopyruvate; In tetrahydrofuran; at 70 ℃; for 18h;

DOI:10.1021/acsmedchemlett.0c00338

upstream raw materials:

2,2,2-trifluoroacetamide

ethyl Bromopyruvate

trifluorothioacetamide

Lawessons reagent

Downstream raw materials:

2-(trifluoromethyl)thiazole-4-carboxylic acid

2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde

(2-(trifluoromethyl)-1,3-thiazol-4-yl)methanol