Description

4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester (CAS No. 175277-03-9) is a high-purity organic compound with the molecular formula C₁₄H₁₂F₃NO₂S. This thiazole derivative is characterized by its trifluoromethylphenyl and ethyl ester functional groups, making it a valuable intermediate in pharmaceutical and agrochemical research. Its IUPAC name is ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate, and it is supplied as a crystalline solid with ≥95% purity (HPLC). Suitable for use in cross-coupling reactions, heterocyclic synthesis, and medicinal chemistry applications, this compound is rigorously tested for quality and stability. Store in a cool, dry place under inert conditions to ensure longevity.

Properties

• CAS Number: 175277-03-9
• Complexity: 370
• IUPAC Name: ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate
• InChI: InChI=1S/C14H12F3NO2S/c1-3-20-13(19)11-8(2)18-12(21-11)9-4-6-10(7-5-9)14(15,16)17/h4-7H,3H2,1-2H3
• InChI Key: LPIXRQSYBTUXOQ-UHFFFAOYSA-N
• Exact Mass: 315.05408429
• Molecular Formula: C14H12F3NO2S
• Molecular Weight: 315.31
• SMILES: CCOC(=O)C1=C(N=C(S1)C2=CC=C(C=C2)C(F)(F)F)C
• Topological: 67.4
• Monoisotopic Mass: 315.05408429
• Synonyms: 4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester, 671-921-9, 175277-03-9, ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate, ethyl 4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylate, ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate, 4-Methyl-2-(4-trifluoromethylphenyl)thiazole-5-carboxylic Acid Ethyl Ester, 5-thiazolecarboxylic acid, 4-methyl-2-[4-(trifluoromethyl)phenyl]-, ethyl ester, Ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-thiazole-5-carboxylate, Ethyl 4-Methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate;, ethyl 4-methyl-2-(4-(trifluoromethyl)phenyl)-1,3-thiazole-5-carboxylate, MFCD00068104, Ethyl 4-methyl-2-[4-(trifluoro-methyl)-phenyl]thiazole-5-carboxylate, SCHEMBL2886858, DTXSID10371915, ethyl4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylate, Ethyl 2-(4-(trifluoromethyl)phenyl)-4-methylthiazole-5-carboxylate, SBB066582, AKOS005063952, AC-28803, DB-000620, CS-0312636, ST51041614, F11451, 1W-0211, ethyl 4-methyl-2[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate, ethyl-4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate, ethyl [4-methyl-2,4-(trifluoromethyl) phenyl] thiazole-5-carboxylate, Ethyl 4-methyl-2-[4-(trifluoro-methyl)-phenyl]thiazole-5-carboxylate, 97%, AldrichCPR, 5-(Ethoxycarbonyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole, 4-[5-(Ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]benzotrifluoride

Application

This compound serves as a key synthetic intermediate in the development of pharmaceuticals, particularly in the modification of thiazole-based bioactive molecules. Researchers utilize it in the synthesis of potential kinase inhibitors and antimicrobial agents due to its trifluoromethylphenyl moiety. It is also employed in material science for the preparation of advanced organic electronic materials.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

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