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

Base Information

• Chemical Name: Ethyl 2-phenyl-1,3-thiazole-4-carboxylate
• CAS No.: 59937-01-8
• Molecular Formula: C12H11 N O2 S
• Molecular Weight: 233.291
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID70434555
• Nikkaji Number: J2.819.069G
• Wikidata: Q72498902
• Mol file: 59937-01-8.mol

Synonyms:59937-01-8;ETHYL 2-PHENYLTHIAZOLE-4-CARBOXYLATE;ethyl 2-phenyl-1,3-thiazole-4-carboxylate;2-PHENYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;2-Phenylthiazole-4-carboxylic acid ethyl ester;ethyl2-phenylthiazole-4-carboxylate;4-Thiazolecarboxylic acid, 2-phenyl-, ethyl ester;SCHEMBL2080725;DTXSID70434555;UKKGDCGESAFSJY-UHFFFAOYSA-N;ethyl-2-phenylthiazole-4-carboxylate;MFCD06205115;AKOS015898805;4G-416S;CS-W007312;AC-37184;A8400;W-204305;F6617-3715

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

Chemical Property:

• Melting Point: 47 °C
• Boiling Point: 365℃
• PKA: 0.09±0.10(Predicted)
• Flash Point: 175℃
• PSA: 67.43000
• Density: 1.216
• LogP: 2.98680
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 233.05104977
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-phenyl-1,3-thiazole-4-carboxylate 97% ^*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

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

There total 25 articles about Ethyl 2-phenyl-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: 94.0%

ethyl Bromopyruvate (70-23-5) + benzenecarbothioamide (2227-79-4) → 2-phenylthiazole-4-carboxylic acid ethyl ester (59937-01-8)

Guidance literature:

In ethanol; at 20 ℃; for 2h; Reflux;

Reference yield: 92.0%

Ethyl 5,5-dihydro-2-phenyl-2-thiazoline-4-carboxylate (70454-09-0) → 2-phenylthiazole-4-carboxylic acid ethyl ester (59937-01-8)

Guidance literature:

With oxygen; copper diacetate; In N,N-dimethyl-formamide; at 120 ℃; for 12h; under 760.051 Torr; Molecular sieve;

DOI:10.1016/j.tet.2011.07.016

Reference yield: 91.0%

4-hydroxy-2-phenyl-4,5-dihydro-thiazole-4-carboxylic acid ethyl ester (37128-20-4) → 2-phenylthiazole-4-carboxylic acid ethyl ester (59937-01-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 1h; Molecular sieve;

DOI:10.1016/j.tetlet.2010.01.091

upstream raw materials:

ethyl Bromopyruvate

benzenecarbothioamide

(2RS,4R)-2-phenylthiazolidine-4-carboxylic acid ethyl ester

ethyl diazopyruvate

Downstream raw materials:

2-phenyl-1,3-thiazole-4-carboxylic acid

2-phenyl-1,3-thiazole-4-carboxamide

2-phenyl-1,3-thiazole-4-carboxylic acid hydrazide

methyl 3-(2-phenylthiazole-4-carboxamido)propyl sulfide

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