Diethyl thiazole-2,4-dicarboxylate

Base Information

• Chemical Name: Diethyl thiazole-2,4-dicarboxylate
• CAS No.: 40235-67-4
• Molecular Formula: C9H11NO4S
• Molecular Weight: 229.25
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID801286312
• Mol file: 40235-67-4.mol

Synonyms:Diethyl thiazole-2,4-dicarboxylate;40235-67-4;diethyl 1,3-thiazole-2,4-dicarboxylate;2,4-DIETHYL 1,3-THIAZOLE-2,4-DICARBOXYLATE;SCHEMBL9454202;Diethylthiazole-2,4-dicarboxylate;YLPCMNAQUJVVLD-UHFFFAOYSA-N;DTXSID801286312;2,4-Diethyl 2,4-thiazoledicarboxylate;DB-141663;G62306;1,7-DI-TERT-BUTYL 4-[3-(TERT-BUTOXY)-3-OXOPROPYL]-8-NITROHEPTANEDIOATE

Chemical Property of Diethyl thiazole-2,4-dicarboxylate

Chemical Property:

• PSA: 93.73000
• LogP: 1.49650
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 229.04087901
• Heavy Atom Count: 15
• Complexity: 246

Purity/Quality:

≥99% ^*data from raw suppliers

Diethylthiazole-2,4-dicarboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl thiazole-2,4-dicarboxylate

There total 3 articles about Diethyl thiazole-2,4-dicarboxylate 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: 77.0%

(S,R)-diethyl thiazolidine-2,4-(R)-dicarboxylate → diethyl thiazole-2,4-dicarboxylate (40235-67-4)

Guidance literature:

With manganese(IV) oxide; In toluene; at 100 ℃; for 0.00833333h; Microwave irradiation; Inert atmosphere;

DOI:10.1016/j.tet.2010.09.104

Reference yield:

ethyl 2-amino-2-thioxoacetate (16982-21-1) + ethyl Bromopyruvate (70-23-5) → diethyl thiazole-2,4-dicarboxylate (40235-67-4)

Guidance literature:

DOI:10.1002/hlca.19480310519

Reference yield:

ethyl Bromopyruvate (70-23-5) → diethyl thiazole-2,4-dicarboxylate (40235-67-4)

Guidance literature:

DOI:10.1002/hlca.19480310519

upstream raw materials:

ethyl 2-amino-2-thioxoacetate

ethyl Bromopyruvate

Downstream raw materials:

2-(ethoxycarbonyl)-1,3-thiazole-4-carboxylic acid

Refernces

• 1、 Di Credico, Barbara,Gonsalvi, Luca,Peruzzini, Maurizio,Reginato, Gianna,Rossin, Andrea. "Design and synthesis of thiazole and thiazolidine metallo-supramolecular networks". scheme or table. p. 1312 - 1315. Retrieved 2011/09/15.