Description

2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CAS No. 117724-63-7) is a high-purity heterocyclic carboxylic acid featuring a thiazole core substituted with a trifluoromethyl group and a methyl group. With the molecular formula C₆H₄F₃NO₂S and a molecular weight of 211.16 g/mol, this compound is a versatile building block in pharmaceutical and agrochemical research. Its unique structure, combining electron-withdrawing trifluoromethyl and carboxylic acid functionalities, makes it valuable for synthesizing bioactive molecules, ligands, and advanced intermediates. The product is supplied as a crystalline solid with ≥95% purity (HPLC), rigorously tested for consistency via NMR, LC-MS, and elemental analysis. Store in a cool, dry place under inert conditions to ensure stability.

Properties

• CAS Number: 117724-63-7
• Complexity: 220
• IUPAC Name: 2-methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid
• InChI: InChI=1S/C6H4F3NO2S/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12)
• InChI Key: REKJPVUFKQYMHW-UHFFFAOYSA-N
• Exact Mass: 210.99148403
• Molecular Formula: C6H4F3NO2S
• Molecular Weight: 211.16
• SMILES: CC1=NC(=C(S1)C(=O)O)C(F)(F)F
• Topological: 78.4
• Monoisotopic Mass: 210.99148403
• Synonyms: 117724-63-7, 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid, DTXSID20363346, DTXCID20314393, 809-864-0, 2-Methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid, 2-methyl-4-trifluoromethylthiazole-5-carboxylic acid, MFCD00173295, 2-Methyl-4-(trifluoromethyl)-13-thiazole-5-carboxylic acid, 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid; 2-Methyl-4-trifluoromethylthiazole-5-carboxylic Acid, 5-Thiazolecarboxylic acid, 2-methyl-4-(trifluoromethyl)-, SCHEMBL975710, 2-Methyl-4-(trifluoromethyl)thiazole-5-carboxylicAcid, BCP14615, SBB094458, AKOS005071191, CS-W002467, AC-25694, SY014785, DB-000619, M3078, 8F-015, EN300-129545, 5-Thiazolecarboxylicacid,2-methyl-4-(trifluoromethyl)-, 2-Methyl-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid, 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid, AldrichCPR, 2-methyl-4-trifluoromethyl-thiazole-5-carboxylic acid;2-methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid

Application

2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is widely used as a key intermediate in medicinal chemistry for the development of trifluoromethylated thiazole derivatives, which exhibit enhanced metabolic stability and bioavailability. It serves as a precursor for protease inhibitors, kinase modulators, and other small-molecule therapeutics targeting infectious diseases and oncology. In agrochemical research, this compound is employed to synthesize novel pesticides and herbicides leveraging the thiazole scaffold’s bioactivity. Its carboxylic acid group also facilitates conjugation to peptides or metal complexes for catalytic applications.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (75%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (75%)

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