2-(4-Methylphenyl)-1,3-thiazole-4-carboxylate

Base Information

• Chemical Name: 2-(4-Methylphenyl)-1,3-thiazole-4-carboxylate
• CAS No.: 17228-99-8
• Molecular Formula: C11H9NO2S
• Molecular Weight: 219.264
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID30938120
• Wikidata: Q82914372
• Mol file: 17228-99-8.mol

Synonyms:2-(4-methylphenyl)-1,3-thiazole-4-carboxylate;4dhl;DTXSID30938120;D87949;A811396

Chemical Property of 2-(4-Methylphenyl)-1,3-thiazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 6.66E-08mmHg at 25°C
• Melting Point: 176-178°C
• Boiling Point: 422.8 °C at 760 mmHg
• Flash Point: 209.5 °C
• PSA: 78.43000
• Density: 1.319g/cm³
• LogP: 2.81670
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 218.02757467
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

2-p-Tolyl-thiazole-4-carboxylicacid 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)[O-]
• Uses: Used as pharmaceutical intermediates.

Technology Process of 2-(4-Methylphenyl)-1,3-thiazole-4-carboxylate

There total 10 articles about 2-(4-Methylphenyl)-1,3-thiazole-4-carboxylate 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%

methyl 2-(4-methylphenyl)thiazole-4-carboxylate (1315510-09-8) → 2-(p-tolyl)thiazole-4-carboxylic acid (17228-99-8)

Guidance literature:

With sodium hydroxide; In methanol; at 0 ℃; for 2h;

DOI:10.1016/j.ejmech.2018.08.004

Reference yield: 82.0%

2-p-tolylthiazole-4-carbaldehyde (55327-29-2) → 2-(p-tolyl)thiazole-4-carboxylic acid (17228-99-8)

Guidance literature:

With dihydrogen peroxide; potassium hydroxide; In methanol; water; at 65 ℃; for 0.5h;

DOI:10.5562/cca1939

Reference yield:

4-methylthiobenzamide (2362-62-1) → 2-(p-tolyl)thiazole-4-carboxylic acid (17228-99-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 75 °C

2: aq. KOH / 50 °C

With potassium hydroxide; In ethanol;

DOI:10.1016/S0960-894X(03)00726-1

upstream raw materials:

1-(2-p-tolyl-thiazol-4-yl)-ethanone

(2-p-tolylthiazol-4-yl)methanol

2-(4'-methylphenyl)-4-carbethoxythiazole

4-methylthiobenzamide

Downstream raw materials:

2-diazo-1-(2-p-tolyl-thiazol-4-yl)-ethanone

5-bromo-2-p-tolyl-thiazole-4-carboxylic acid

2-(4-methylphenyl)-4-thiazolecarboxylic acid chloride

piperidin-1-yl(2-p-tolylthiazol-4-yl)methanone

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