Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate

Base Information

• Chemical Name: Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate
• CAS No.: 899897-21-3
• Molecular Formula: C6H6BrNO2S
• Molecular Weight: 236.089
• Hs Code.: 2934100090
• European Community (EC) Number: 802-152-0
• DSSTox Substance ID: DTXSID80586059
• Wikidata: Q82478090
• Mol file: 899897-21-3.mol

Synonyms:Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate;899897-21-3;Methyl 5-bromo-2-methylthiazole-4-carboxylate;MFCD09265508;SCHEMBL2829789;DTXSID80586059;FINAXYSMTLVVOE-UHFFFAOYSA-N;AKOS005266420;PS-3831;DA-19326;SY065468;CS-0187516;Methyl5-bromo-2-methylthiazole-4-carboxylate;D79746;EN300-209278;5-bromo-2-methyl-thiazole-4-carboxylic acid methyl ester

Chemical Property of Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate

Chemical Property:

• PSA: 67.43000
• LogP: 2.00060
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 234.93026
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(S1)Br)C(=O)OC

Technology Process of Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate

There total 2 articles about Methyl 5-bromo-2-methyl-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: 82.0%

methanol (67-56-1) + 5-bromo-2-methyl-1,3-thiazole-4-carboxylic acid (899897-20-2) → methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate (899897-21-3)

Guidance literature:

With hydrogenchloride; In diethyl ether; for 3h; Heating / reflux;

Reference yield: 26.6%

methyl 2-methyl-1,3-thiazole-4-carboxylate (6436-60-8) → methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate (899897-21-3)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 90 ℃; for 12h;

Reference yield: 37.3%

methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate (899897-21-3) + 4-chloro-2-fluorobenzaldehyde (61072-56-8) → C13H11ClFNO3S

Guidance literature:

methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate; With isopropylmagnesium chloride; In tetrahydrofuran; at -70 ℃; for 0.5h;

4-chloro-2-fluorobenzaldehyde; In tetrahydrofuran; at -40 ℃; for 1h;

upstream raw materials:

methanol

5-bromo-2-methyl-1,3-thiazole-4-carboxylic acid

methyl 2-methyl-1,3-thiazole-4-carboxylate