Ethyl 2-bromo-5-chlorothiazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-bromo-5-chlorothiazole-4-carboxylate
• CAS No.: 425392-44-5
• Molecular Formula: C6H5BrClNO2S
• Molecular Weight: 270.534
• Hs Code.: 2934100090
• European Community (EC) Number: 691-796-4
• DSSTox Substance ID: DTXSID00458441
• Nikkaji Number: J1.748.123A
• Wikidata: Q72453621
• Mol file: 425392-44-5.mol

Synonyms:ethyl 2-bromo-5-chloro-4-thiazolecarboxylate;ethyl BCTCOO

Chemical Property of Ethyl 2-bromo-5-chlorothiazole-4-carboxylate

Chemical Property:

• Boiling Point: 313℃
• PKA: -3.22±0.10(Predicted)
• Flash Point: 143℃
• PSA: 67.43000
• Density: 1.749
• LogP: 2.73570
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 268.89129
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 2-bromo-5-chloro-1,3-thiazole-4-carboxylate 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC(=N1)Br)Cl

Technology Process of Ethyl 2-bromo-5-chlorothiazole-4-carboxylate

There total 2 articles about Ethyl 2-bromo-5-chlorothiazole-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: 100.0%

ethyl 2-amino-5-chloro-4-thiazole carboxylate (136539-01-0) → 2-bromo-5-chlorothiazole-4-carboxylic acid ethyl ester (425392-44-5)

Guidance literature:

With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at 80 ℃;

Reference yield:

2-aminothiazole-4-carboxylate (5398-36-7) → 2-bromo-5-chlorothiazole-4-carboxylic acid ethyl ester (425392-44-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N-chlorosuccinimide / acetonitrile / 20 °C

2: 30 g / isoamylnitrite; CuBr₂ / acetonitrile / 2 h / 0 °C

With N-chloro-succinimide; copper(ll) bromide; isopentyl nitrite; In acetonitrile;

DOI:10.1016/S0040-4039(02)01556-3

Reference yield: 92.0%

4-methoxyphenylboronic acid (5720-07-0) + 2-bromo-5-chlorothiazole-4-carboxylic acid ethyl ester (425392-44-5) → 5-chloro-2-(4-methoxy-phenyl)-thiazole-4-carboxylic acid ethyl ester (425392-48-9)

Guidance literature:

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; at 80 ℃; for 1h;

DOI:10.1021/ol025688u

upstream raw materials:

ethyl 2-amino-5-chloro-4-thiazole carboxylate

2-aminothiazole-4-carboxylate

Downstream raw materials:

5-chloro-2-(4-methoxy-phenyl)-thiazole-4-carboxylic acid ethyl ester

5-chloro-2-(2-methoxy-phenyl)-thiazole-4-carboxylic acid ethyl ester

5-chloro-2-phenylethynyl-thiazole-4-carboxylic acid ethyl ester

2-phenylthiazole-4-carboxylic acid ethyl ester

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