Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
• CAS No.: 53715-64-3
• Molecular Formula: C13H13NO2S
• Molecular Weight: 247.318
• Hs Code.: 29341000
• DSSTox Substance ID: DTXSID00372512
• Nikkaji Number: J1.244.609H
• Wikidata: Q72476104
• ChEMBL ID: CHEMBL1343212
• Mol file: 53715-64-3.mol

Synonyms:ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate;53715-64-3;Ethyl 4-methyl-2-phenylthiazole-5-carboxylate;4-methyl-2-phenyl-thiazole-5-carboxylic acid ethyl ester;Maybridge1_008302;ethyl 4-methyl-2-phenyl-thiazole-5-carboxylate;MLS000696107;SCHEMBL1316281;CHEMBL1343212;HMS565B08;AMY1756;DTXSID00372512;FYPLITQTMHJFKK-UHFFFAOYSA-N;5-Thiazolecarboxylic acid, 4-methyl-2-phenyl-, ethyl ester;HMS2649D20;CCG-54286;MFCD00141953;STL141126;AKOS005079855;12F-303S;SMR000333453;BB 0238164;CS-0216886;FT-0626098;EN300-64122;D86794;ethyl 4-methyl-2-phenyl thiazole-5-carboxylate;A829747;J-521046;SR-01000643392-1;Z48854170;2-Phenyl-4-methylthiazole-5-carboxylic acid ethyl ester;4-methyl-2-phenylthiazole-5-carboxylic acid ethyl ester;4-Methyl-2-phenyl-thiazole-5-carboxylic acid ethyl ester;2,3,4-Tri-O-benzoyl-alpha-D-glucopyranuronicacidmethylestertrichloroacetimidate

Chemical Property of Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 9.32E-06mmHg at 25°C
• Melting Point: 36 °C
• Refractive Index: 1.572
• Boiling Point: 372.9 °C at 760 mmHg
• Flash Point: 179.3 °C
• PSA: 67.43000
• Density: 1.188g/cm³
• LogP: 3.29520
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 247.06669983
• Heavy Atom Count: 17
• Complexity: 266

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C(S1)C2=CC=CC=C2)C

Technology Process of Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

There total 9 articles about Ethyl 4-methyl-2-phenyl-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: 83.0%

benzenecarbothioamide (2227-79-4) + ethyl 2-chloro-3-oxo-butyrate (609-15-4) → 4-methyl-2-phenyl-thiazole-5-carboxylic acid ethyl ester (53715-64-3)

Guidance literature:

In ethanol; for 3h; Reflux;

DOI:10.1016/j.bmc.2021.116133

Reference yield: 80.0%

ethyl 2-bromoacetoacetate (84911-18-2,609-13-2) + benzenecarbothioamide (2227-79-4) → 4-methyl-2-phenyl-thiazole-5-carboxylic acid ethyl ester (53715-64-3)

Guidance literature:

In ethanol; for 8h; Reflux;

DOI:10.1007/s00044-017-1955-1

Reference yield: 78.0%

ethyl (2-chloroaceto)acetate (638-07-3) + benzenecarbothioamide (2227-79-4) → 4-methyl-2-phenyl-thiazole-5-carboxylic acid ethyl ester (53715-64-3)

Guidance literature:

In ethanol; for 6h; Reflux;

DOI:10.1016/j.ejmech.2016.02.040

upstream raw materials:

benzenecarbothioamide

ethyl 2-chloro-3-oxo-butyrate

ethyl 2-sulfanylacetate

N-Acetylbenzimidsaeure-ethylester

Downstream raw materials:

2-methyl-2-[4-{[(4-methyl-2-phenyl-1,3-thiazol-5-ylcarbonyl)amino]methyl}phenoxy]propionic acid ethyl ester

4-methyl-2-phenyl-thiazole-5-carbonyl chloride

α-(2-phenyl-4-methylthiazol-5-yl)-α-phenylmethyl acetate

7-chloro-2-phenylthiazolo<4,5-d>pyridazine