5-Methyl-2-phenyl-1,3-thiazole-4-carboxylic acid

Base Information

• Chemical Name: 5-Methyl-2-phenyl-1,3-thiazole-4-carboxylic acid
• CAS No.: 113366-43-1
• Molecular Formula: C11H9NO2S
• Molecular Weight: 219.264
• European Community (EC) Number: 843-701-4
• Mol file: 113366-43-1.mol

Synonyms:113366-43-1;5-methyl-2-phenyl-1,3-thiazole-4-carboxylic acid;5-methyl-2-phenylthiazole-4-carboxylic acid;5-Methyl-2-phenyl-thiazole-4-carboxylic acid;MFCD09881002;SCHEMBL3995172;SDQFOJCLVJKFPG-UHFFFAOYSA-N;AKOS016389596;AS-6411;5-methyl-2-phenylthiazole-4-carboxylicacid;CS-0250410;G32068;EN300-5071838;5-methyl-2-phenyl-1,3-thiazole-4-carboxylic-acid;Z1495932619

Chemical Property of 5-Methyl-2-phenyl-1,3-thiazole-4-carboxylic acid

Chemical Property:

• Melting Point: 183-185 °C
• Boiling Point: 424.0±37.0 °C(Predicted)
• PKA: 3.76±0.10(Predicted)
• PSA: 78.43000
• Density: 1.319±0.06 g/cm3(Predicted)
• LogP: 2.81670
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 219.03539970
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-2-phenyl-1,3-thiazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(N=C(S1)C2=CC=CC=C2)C(=O)O

Technology Process of 5-Methyl-2-phenyl-1,3-thiazole-4-carboxylic acid

There total 2 articles about 5-Methyl-2-phenyl-1,3-thiazole-4-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: 81.0%

ethyl 5-methyl-2-phenylthiazole-4-carboxylate (132089-40-8) → 5-methyl-2-phenylthiazole-4-carboxylic acid (113366-43-1)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 48h; Ambient temperature;

Reference yield:

benzenecarbothioamide (2227-79-4) → 5-methyl-2-phenylthiazole-4-carboxylic acid (113366-43-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / ethanol / 12 h / Heating

2: 81 percent / KOH / ethanol; H₂O / 48 h / Ambient temperature

With potassium hydroxide; In ethanol; water;

Reference yield: 61.0%

diphenyl diselenide (1666-13-3) + 5-methyl-2-phenylthiazole-4-carboxylic acid (113366-43-1) → 4-methyl-2-phenyl-5-(phenylselanyl)thiazole

Guidance literature:

With 1,10-Phenanthroline; oxygen; copper diacetate; potassium carbonate; In toluene; at 150 ℃; for 24h; under 760.051 Torr; Schlenk technique; Sealed tube;

DOI:10.1039/c7ob02066j

upstream raw materials:

ethyl 5-methyl-2-phenylthiazole-4-carboxylate

benzenecarbothioamide

Downstream raw materials:

5-(3-hydroxypentyl)-2-phenylthiazole-4-carboxylic acid

5-(but-3-enyl)-2-phenylthiazole-4-carboxylic acid

5-(2-Hydroxy-2-phenyl-propyl)-2-phenyl-thiazole-4-carboxylic acid