Ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
• CAS No.: 132089-32-8
• Molecular Formula: C13H13 N O2 S
• Molecular Weight: 247.318
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID80377060
• Nikkaji Number: J2.819.078F
• Wikidata: Q82166098
• ChEMBL ID: CHEMBL2147752
• Mol file: 132089-32-8.mol

Synonyms:132089-32-8;ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate;Ethyl 2-(p-tolyl)thiazole-4-carboxylate;Ethyl 2-p-tolylthiazole-4-carboxylate;2-p-Tolyl-thiazole-4-carboxylic acid ethyl ester;Ethyl2-(p-tolyl)thiazole-4-carboxylate;CHEMBL2147752;SCHEMBL12582252;DTXSID80377060;MFCD01935979;AKOS005069879;2G-397S;AB10563;BL001618;CS-0213465;FT-0680200;Ethyl 2-(4-methylphenyl)-thiazole-4-carboxylate;A806361;W-205388;2-(4-METHYLPHENYL)THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;Ethyl 2-(4-methylphenyl)-thiazole-4-carboxylate, 97%, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 7.55E-06mmHg at 25°C
• Melting Point: 45-46°C
• Refractive Index: 1.572
• Boiling Point: 375.9°Cat760mmHg
• PKA: 0.30±0.10(Predicted)
• Flash Point: 181.1°C
• PSA: 67.43000
• Density: 1.188g/cm³
• LogP: 3.29520
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 247.06669983
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

97% ^*data from raw suppliers

2-p-Tolyl-thiazole-4-carboxylic acid ethyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CSC(=N1)C2=CC=C(C=C2)C

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

There total 9 articles about Ethyl 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: 97.0%

4-methylthiobenzamide (2362-62-1) + ethyl diazopyruvate (14214-10-9) → 2-(4'-methylphenyl)-4-carbethoxythiazole (132089-32-8)

Guidance literature:

With boron trifluoride diethyl etherate; In 1,2-dimethoxyethane; for 3h; Heating;

Reference yield: 85.0%

C13H15NO2S (856658-84-9) → 2-(4'-methylphenyl)-4-carbethoxythiazole (132089-32-8)

Guidance literature:

With oxygen; copper diacetate; In N,N-dimethyl-formamide; at 120 ℃; for 20h; under 760.051 Torr; Molecular sieve;

DOI:10.1016/j.tet.2011.07.016

Reference yield: 83.0%

4-methylthiobenzamide (2362-62-1) + ethyl Bromopyruvate (70-23-5) → 2-(4'-methylphenyl)-4-carbethoxythiazole (132089-32-8)

Guidance literature:

With sodium carbonate; In neat (no solvent); Milling;

DOI:10.1016/j.ejmech.2016.07.033

upstream raw materials:

4-methylthiobenzamide

ethyl diazopyruvate

(2-chloro-phenyl)-thioacetic acid amide

C₁₃H₁₅NO₂S

Downstream raw materials:

2-(4-methylphenyl)-1,3-thiazole-4-carbohydrazide

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

2-p-tolylthiazole-4-carbaldehyde

1-((2-p-tolylthiazol-4-yl)methylene)thiosemicarbazide