Methyl 5-bromo-4-(trifluoromethyl)thiazole-2-carboxylate

Base Information

• Chemical Name: Methyl 5-bromo-4-(trifluoromethyl)thiazole-2-carboxylate
• CAS No.: 79247-83-9
• Molecular Formula: C₆H₃BrF₃NO₂S
• Molecular Weight: 290.061
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID40696365
• Wikidata: Q82625923
• Mol file: 79247-83-9.mol

Synonyms:79247-83-9;Methyl 5-bromo-4-(trifluoromethyl)thiazole-2-carboxylate;METHYL 5-BROMO-4-TRIFLUOROMETHYL-THIAZOLE-2-CARBOXYLATE;methyl 5-bromo-4-(trifluoromethyl)-1,3-thiazole-2-carboxylate;C6H3BrF3NO2S;DTXSID40696365;2-Thiazolecarboxylicacid,5-bromo-4-(trifluoromethyl)-,methylester(9CI);SB38793;CS-0340569;Methyl5-bromo-4-(trifluoromethyl)thiazole-2-carboxylate

Chemical Property of Methyl 5-bromo-4-(trifluoromethyl)thiazole-2-carboxylate

Chemical Property:

• PSA: 67.43000
• LogP: 2.71100
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 288.90200
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

Methyl 5-bromo-4-(trifluoromethyl)-1,3-thiazole-2-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NC(=C(S1)Br)C(F)(F)F

Technology Process of Methyl 5-bromo-4-(trifluoromethyl)thiazole-2-carboxylate

There total 2 articles about Methyl 5-bromo-4-(trifluoromethyl)thiazole-2-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:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2,5-dibromo-4-trifluoromethylthiazole (79257-58-2) → methyl 2-bromo-4-trifluoromethylthiazole-5-carboxylate (79247-82-8) + methyl 5-bromo-4-trifluoromethylthiazole-2-carboxylate (79247-83-9) + dimethyl 4-trifluoromethylthiazole-2,5-dicarboxylate (79247-84-0)

Guidance literature:

With hydrogenchloride; n-butyllithium; carbon dioxide; In diethyl ether; hexane; 1) n-C4H9 in hexane, 2) CO2, 3) aqueous HCl, 4) CH2N2 in (C2H5)2O;

DOI:10.1039/P19810002335

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + carbon dioxide (124-38-9,18923-20-1) + 2,5-dibromo-4-trifluoromethylthiazole (79257-58-2) → methyl 2-bromo-4-trifluoromethylthiazole-5-carboxylate (79247-82-8) + methyl 5-bromo-4-trifluoromethylthiazole-2-carboxylate (79247-83-9) + dimethyl 4-trifluoromethylthiazole-2,5-dicarboxylate (79247-84-0)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction. Yields of byproduct given;

DOI:10.1039/P19810002335

upstream raw materials:

diazomethane

carbon dioxide

2,5-dibromo-4-trifluoromethylthiazole

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