4-(Trifluoromethyl)thiazole-5-carboxylic acid

Base Information

• Chemical Name: 4-(Trifluoromethyl)thiazole-5-carboxylic acid
• CAS No.: 167548-89-2
• Molecular Formula: C₅H₂F₃NO₂S
• Molecular Weight: 197.138
• Hs Code.: 2934208090
• European Community (EC) Number: 831-123-5
• Mol file: 167548-89-2.mol

Synonyms:4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID;167548-89-2;4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;5-Thiazolecarboxylic acid, 4-(trifluoromethyl)-;MFCD14551345;SCHEMBL1417795;AKOS016352826;AS-67390;SY124163;DB-094567;CS-0038452;EN300-208855;4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLICACID;F2147-8276;Z1255421097

Chemical Property of 4-(Trifluoromethyl)thiazole-5-carboxylic acid

Chemical Property:

• Boiling Point: 288.3±40.0 °C(Predicted)
• Density: 1.668±0.06 g/cm3(Predicted)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 196.97583397
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

4-(Trifluoromethyl)-1,3-thiazole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=NC(=C(S1)C(=O)O)C(F)(F)F

Technology Process of 4-(Trifluoromethyl)thiazole-5-carboxylic acid

There total 2 articles about 4-(Trifluoromethyl)thiazole-5-carboxylic acid 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: 86.0%

2-amino-4-(trifluoromethyl)thiazole-5-carboxylic acid (239135-55-8) → 4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (167548-89-2)

Guidance literature:

2-amino-4-(trifluoromethyl)thiazole-5-carboxylic acid; With phosphoric acid; sodium nitrite; In water; at -10 ℃; for 0.583333h;

With hypophosphorous acid; In water; for 2h;

With sodium hydroxide; water; pH=5;

Reference yield:

4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester (106203-24-1) → 4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (167548-89-2)

Guidance literature:

4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester; With water; sodium hydroxide; In ethanol; at 20 ℃; for 4h;

With hydrogenchloride; In water;

Reference yield: 57.0%

4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (167548-89-2) + 3-chloro-aniline (108-42-9) → N-(3-chlorophenyl)-4-(trifluoromethyl)thiazole-5-carboxamide (953071-26-6)

Guidance literature:

With triethylamine; HATU; In N,N-dimethyl-formamide; for 4h;

upstream raw materials:

2-amino-4-(trifluoromethyl)thiazole-5-carboxylic acid

4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester

Downstream raw materials:

N-(3-chlorophenyl)-4-(trifluoromethyl)thiazole-5-carboxamide