Ethyl 2-(4-(trifluoromethyl)phenyl)thiazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-(4-(trifluoromethyl)phenyl)thiazole-4-carboxylate
• CAS No.: 175204-88-3
• Molecular Formula: C13H10F3NO2S
• Molecular Weight: 301.289
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID701154411
• Nikkaji Number: J2.819.084K
• Mol file: 175204-88-3.mol

Synonyms:175204-88-3;Ethyl 2-(4-(trifluoromethyl)phenyl)thiazole-4-carboxylate;ethyl 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate;2-(4-TRIFLUOROMETHYL-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;Ethyl 2-[4-(trifluoromethyl)phenyl]thiazole-4-carboxylate;2-(4-Trifluoromethylphenyl)thiazole-4-carboxylic acid ethyl ester;2-[4-(Trifluoromethyl)phenyl]thiazole-4-carboxylic acid ethyl ester;C13H10F3NO2S;Maybridge1_006269;SCHEMBL4563766;HMS559E21;DTXSID701154411;AMY30428;2-(4-Trifluoromethylphenyl)-thiazole-4-carboxylic acid ethyl ester;MFCD00179674;AKOS005070633;AB04411;BL002546;CS-0206345;FT-0625910;FT-0745099;4Z-0712;W-205394;Ethyl2-(4-(trifluoromethyl)phenyl)thiazole-4-carboxylate;Ethyl 2-[4-(trifluoromethyl)phenyl]thiazole-4-carboxylate 97%;4-Thiazolecarboxylic acid, 2-[4-(trifluoromethyl)phenyl]-, ethyl ester;2-(4-trifluoromethyl-phenyl)-thiazole-4-carboxylic acid ethyl ester, AldrichCPR

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

Chemical Property:

• Melting Point: 103-106oC
• PSA: 67.43000
• LogP: 4.00560
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 301.03843422
• Heavy Atom Count: 20
• Complexity: 343

Purity/Quality:

96% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-41-22
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CSC(=N1)C2=CC=C(C=C2)C(F)(F)F

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

There total 8 articles about Ethyl 2-(4-(trifluoromethyl)phenyl)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: 91.0%

C13H12F3NO2S (1221437-20-2) → 2-[4-(trifluoromethyl)phenyl]thiazole-4-carboxylic acid ethyl ester (175204-88-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 2h; Molecular sieve;

DOI:10.1016/j.tetlet.2010.01.091

Reference yield: 86.0%

C13H12F3NO2S (1332708-70-9) → 2-[4-(trifluoromethyl)phenyl]thiazole-4-carboxylic acid ethyl ester (175204-88-3)

Guidance literature:

With oxygen; copper diacetate; In N,N-dimethyl-formamide; at 120 ℃; for 12h; under 760.051 Torr; Molecular sieve;

DOI:10.1016/j.tet.2011.07.016

Reference yield: 63.0%

ethyl Bromopyruvate (70-23-5) + 4-trifluoromethylbenzthioamide (72505-21-6) → 2-[4-(trifluoromethyl)phenyl]thiazole-4-carboxylic acid ethyl ester (175204-88-3)

Guidance literature:

In acetone; for 3h; Heating / reflux;

upstream raw materials:

ethyl Bromopyruvate

4-trifluoromethylbenzthioamide

C₁₃H₁₂F₃NO₂S

C₁₃H₁₂F₃NO₂S

Downstream raw materials:

2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid

{2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methanol

2-[4-(trifluoromethyl)phenyl]thiazole-4-carbohydrazide

N-{5-methyl-6-[4-(morpholin-4-yl)cyclohex-1-en-1-yl]pyridin-3-yl}-2-[4-(trifluoromethyl)-phenyl]thiazole-4-carboxamide

Refernces

• 1、 Jung, Hui Jin,Nam, Eun Hye,Park, Jin Young,Ghosh, Prithwish,Kim, In Su. "Identification of BR102910 as a selective fibroblast activation protein (FAP) inhibitor". supporting information. . Retrieved 2021/02/26.
• 2、 Liu, Li,Tan, Chen,Fan, Rong,Wang, Zihan,Du, Hongguang,Xu, Kun,Tan, Jiajing. "I2/TBHP-Mediated tandem cyclization and oxidation reaction: Facile access to 2-substituted thiazoles and benzothiazoles". supporting information. p. 252 - 256. Retrieved 2019/01/10.