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

Base Information

• Chemical Name: Methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
• CAS No.: 337924-65-9
• Molecular Formula: C₁₂H₁₀ClNO₂S
• Molecular Weight: 267.736
• DSSTox Substance ID: DTXSID10377553
• Wikidata: Q22750737
• ChEMBL ID: CHEMBL448547
• Mol file: 337924-65-9.mol

Synonyms:337924-65-9;methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate;METHYL 2-(4-CHLOROPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE;HMS1366J07;Bionet2_000909;CHEMBL448547;SCHEMBL8339292;DTXSID10377553;MFCD00792936;AKOS005069226;AB07128;CS-0279522;FT-0679938;10L-037;J-521843;Q22750737;Z210017454;Methyl2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate;METHYL2-(4-CHLOROPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE;2-(4-Chlorophenyl)-4-methyl-thiazole-5-carboxylic Acid MethylEster

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

Chemical Property:

• Melting Point: 138-140°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 267.0120774
• Heavy Atom Count: 17
• Complexity: 282

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)OC

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

There total 1 articles about Methyl 2-(4-chlorophenyl)-4-methyl-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: 75.0%

methyl 2-chloroacetoacetate (4755-81-1,935731-92-3) + 4-chlorothiobenzamide (2521-24-6) → 2-(4-chlorophenyl)-4-methyl-thiazole-5-carboxylic acid methyl ester (337924-65-9)

Guidance literature:

In ethanol; for 2h; Inert atmosphere; Reflux;

DOI:10.1021/jm800412d

Reference yield: 87.0%

2-(4-chlorophenyl)-4-methyl-thiazole-5-carboxylic acid methyl ester (337924-65-9) → 2-(4-chloro-phenyl)-4-dibromomethyl-thiazole-5-carboxylic acid methyl ester (1048364-22-2)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; for 24h; UV-irradiation; Inert atmosphere; Reflux;

DOI:10.1021/jm1013538

Reference yield: 80.0%

2-(4-chlorophenyl)-4-methyl-thiazole-5-carboxylic acid methyl ester (337924-65-9) → 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (54001-17-1)

Guidance literature:

With lithium hydroxide; water; In methanol; ethanol; for 1h; Reflux; Inert atmosphere;

DOI:10.1021/jm800412d

upstream raw materials:

methyl 2-chloroacetoacetate

4-chlorothiobenzamide

Downstream raw materials:

2-(4-chloro-phenyl)-4-dibromomethyl-thiazole-5-carboxylic acid methyl ester

2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

N-allyl-4-(dibromomethyl)-2-(4-chlorophenyl)thiazole-5-carboxamide

4-(dibromomethyl)-2-(4-chlorophenyl)-N-ethylthiazole-5-carboxamide

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