4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylate

Base Information

• Chemical Name: 4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylate
• CAS No.: 54001-13-7
• Molecular Formula: C12H10NO2S-
• Molecular Weight: 233.291
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID10968829
• Wikidata: Q82951741
• Mol file: 54001-13-7.mol

Synonyms:4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylate;DTXSID10968829

Chemical Property of 4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 4.14E-08mmHg at 25°C
• Melting Point: 262-263,5°C
• Boiling Point: 428.6°Cat760mmHg
• Flash Point: 213°C
• PSA: 78.43000
• Density: 1.278g/cm³
• LogP: 3.12510
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 232.04322474
• Heavy Atom Count: 16
• Complexity: 258

Purity/Quality:

97% ^*data from raw suppliers

4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)[O-])C

Technology Process of 4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylate

There total 6 articles about 4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-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: 88.0%

ethyl 4-methyl-2-(p-tolyl)thiazole-5-carboxylate (54001-09-1) → 4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-carboxylic acid (54001-13-7)

Guidance literature:

ethyl 4-methyl-2-(p-tolyl)thiazole-5-carboxylate; With water; sodium hydroxide; at 130 ℃; for 0.0833333h;

With hydrogenchloride; In water; pH=3;

Reference yield:

1-(4-methyl-2-(p-tolyl)thiazol-5-yl)ethan-1-one (54001-03-5) → 4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-carboxylic acid (54001-13-7)

Guidance literature:

Multi-step reaction with 3 steps

1: SeO₂ / aq. acetic acid / 2 h / Heating

2: 40percent aq. KOH / 24 h / Ambient temperature

3: K₂Cr₂O₇, glacial acetic acid / 1 h

With potassium dichromate; potassium hydroxide; selenium(IV) oxide; acetic acid; In acetic acid;

DOI:10.1002/ardp.19813140904

Reference yield:

4-methylthiobenzamide (2362-62-1) → 4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-carboxylic acid (54001-13-7)

Guidance literature:

Multi-step reaction with 2 steps

2: KOH / ethanol

With potassium hydroxide; In ethanol;

upstream raw materials:

ethyl 4-methyl-2-(p-tolyl)thiazole-5-carboxylate

Hydroxy-(4-methyl-2-p-tolyl-thiazol-5-yl)-acetic acid

1-(4-methyl-2-(p-tolyl)thiazol-5-yl)ethan-1-one

(4-Methyl-2-p-tolyl-thiazol-5-yl)-oxo-acetaldehyde

Downstream raw materials:

3-{4-methoxy-3-[({[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbonyl}amino)methyl]-phenyl}-3-phenylacetic acid

(E)-3-(3-{4-methoxy-3-[(({4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl}carbonyl)amino)methyl]-phenyl}phenyl)-2-propenoic acid

6-Methoxy-3-(4-methoxy-2-[([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbonylamino)methyl]phenyl)benzoic acid

3-{4-Isopropoxy-3-[({[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbonyl}amino)methyl]-phenyl}-6-methylbenzoic acid

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