Ethyl 2-(3-methoxyphenyl)thiazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-(3-methoxyphenyl)thiazole-4-carboxylate
• CAS No.: 115299-08-6
• Molecular Formula: C13H13NO3S
• Molecular Weight: 263.31
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID60569502
• Wikidata: Q82456663
• Mol file: 115299-08-6.mol

Synonyms:115299-08-6;Ethyl 2-(3-methoxyphenyl)thiazole-4-carboxylate;2-(3-METHOXY-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;ethyl 2-(3-methoxyphenyl)-1,3-thiazole-4-carboxylate;Ethyl2-(3-methoxyphenyl)thiazole-4-carboxylate;SCHEMBL5342686;2-(3-methoxyphenyl)thiazole-4-carboxylic acid ethyl ester;DTXSID60569502;HOLLTDYJCZTSFF-UHFFFAOYSA-N;MFCD06738341;AKOS016003797;AB26939;BS-19465;A803410;ethyl 2-(3-methoxy-phenyl)thiazole-4-carboxylate;Ethyl 2-(3-methoxyphenyl)-thiazole-4-carboxylate;W-204847;4-THIAZOLECARBOXYLIC ACID, 2-(3-METHOXYPHENYL)-, ETHYL ESTER

Chemical Property of Ethyl 2-(3-methoxyphenyl)thiazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.566
• Boiling Point: 408.041 °C at 760 mmHg
• Flash Point: 200.576 °C
• PSA: 76.66000
• Density: 1.22 g/cm³
• LogP: 2.99540
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 263.06161445
• Heavy Atom Count: 18
• Complexity: 287

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(3-Methoxyphenyl)thiazole-4-carboxylate ^*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(=CC=C2)OC

Technology Process of Ethyl 2-(3-methoxyphenyl)thiazole-4-carboxylate

There total 2 articles about Ethyl 2-(3-methoxyphenyl)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: 95.0%

L-cysteine ethyl ester hydrochloride (868-59-7) + 3-methoxy-benzaldehyde (591-31-1) → ethyl 2-(3-methoxyphenyl)thiazole-4-carboxylate (115299-08-6)

Guidance literature:

With tert.-butylhydroperoxide; iodine; potassium carbonate; In 1,4-dioxane; at 70 ℃; for 12h; Schlenk technique; Molecular sieve; Inert atmosphere;

DOI:10.1039/c8ob02826e

Reference yield:

ethyl Bromopyruvate (70-23-5) + 3-methoxythiobenzamide (64559-06-4) → ethyl 2-(3-methoxyphenyl)thiazole-4-carboxylate (115299-08-6)

Guidance literature:

In ethanol; for 8h; Reflux;

DOI:10.5560/ZNB.2012-0095

Reference yield:

ethyl 2-(3-methoxyphenyl)thiazole-4-carboxylate (115299-08-6) → 2-(3-methoxyphenyl)-1,3-thiazole-4-carbohydrazide

Guidance literature:

With hydrazine hydrate; In methanol; Reflux;

DOI:10.5560/ZNB.2012-0095

upstream raw materials:

ethyl Bromopyruvate

3-methoxythiobenzamide

L-cysteine ethyl ester hydrochloride

3-methoxy-benzaldehyde