4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

Base Information

• Chemical Name: 4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
• CAS No.: 144059-86-9
• Molecular Formula: C12H8F3NO2S
• Molecular Weight: 287.262
• Hs Code.: 2934100090
• European Community (EC) Number: 671-952-8
• DSSTox Substance ID: DTXSID00379642
• Wikidata: Q27467288
• Mol file: 144059-86-9.mol

Synonyms:144059-86-9;4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylic acid;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid;4-Methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid;MFCD00068105;4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid;5-Thiazolecarboxylic acid, 4-methyl-2-[4-(trifluoromethyl)phenyl]-;Maybridge1_008801;4-methyl-2-(4-(trifluoromethyl)phenyl)-1,3-thiazole-5-carboxylic acid;SCHEMBL981341;HMS566I01;DTXSID00379642;AKOS000150389;HY-W158239;PD086851;CS-0215668;FT-0619004;EN300-27271;F20450;10Z-0700;J-515698;Q27467288;Z235344789;4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylicacid;4-Methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid;4-Methyl-2-[4-(trifluoromethyl)phenyl]1,3-thiazole-5-carboxylic acid;4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, AldrichCPR

Chemical Property of 4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.44E-07mmHg at 25°C
• Melting Point: 237-238 °C
• Refractive Index: 1.554
• Boiling Point: 413.2 °C at 760 mmHg
• PKA: 2.26±0.37(Predicted)
• Flash Point: 203.7 °C
• PSA: 78.43000
• Density: 1.438 g/cm³
• LogP: 3.83550
• Storage Temp.: 2-8°C
• Sensitive.: Stench
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 287.02278416
• Heavy Atom Count: 19
• Complexity: 342

Purity/Quality:

97% ^*data from raw suppliers

4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 20/21/22-36/37/38-25
• Safety Statements: 22-36/37/39-37/39-26-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O
• Uses: 4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylic Acid can be used to prepare pharmaceutical compositions.

Technology Process of 4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

There total 8 articles about 4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-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: 98.0%

4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid ethyl ester (175277-03-9) → 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid (144059-86-9)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 15h;

DOI:10.1002/anie.201410341

Reference yield: 52.0%

→ 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid (144059-86-9)

Guidance literature:

Reference yield:

4-trifluoromethylbenzthioamide (72505-21-6) + 4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid ethyl ester (175277-03-9) → 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid (144059-86-9)

Guidance literature:

4-trifluoromethylbenzthioamide; With ethyl 2-chloro-3-oxo-butyrate; In ethanol; for 12h;

4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid ethyl ester; With sodium hydroxide; for 3h;

upstream raw materials:

4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid ethyl ester

4-trifluoromethylbenzthioamide

ethyl-2-amino-4-methylthiazole-5-carboxylate

ethyl 2-iodo-4-methylthiazole-5-carboxylate

Downstream raw materials:

N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

ethyl 2-methyl-2-({4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)amino]phenyl}oxy)propanoate

4-methyl-2-(4-trifluoromethylphenyl)thiazole-5-carbonyl chloride

[4-METHYL-2-(4-TRIFLUOROMETHYL-PHENYL)-THIAZOL-5-YI]-CARBAMIC acid TERT-BUTYL ester

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