4-Bromo-2-methylthiazole

Base Information

• Chemical Name: 4-Bromo-2-methylthiazole
• CAS No.: 298694-30-1
• Molecular Formula: C4H4BrNS
• Molecular Weight: 178.052
• Hs Code.: 2934100090
• European Community (EC) Number: 685-581-4
• DSSTox Substance ID: DTXSID40376796
• Wikidata: Q72448110
• Mol file: 298694-30-1.mol

Synonyms:4-Bromo-2-methylthiazole;298694-30-1;4-bromo-2-methyl-1,3-thiazole;Thiazole, 4-bromo-2-methyl-;MFCD06409945;2-methyl-4-bromo-thiazole;4-bromo-2-methyl-thiazole;4-Bromo-2-methyl thiazole;SCHEMBL103196;DTXSID40376796;LYRXILTUZBBMNS-UHFFFAOYSA-N;AMY34939;4-bromo-2-methylthiazole, AldrichCPR;AKOS006344216;AB23819;PS-6069;BL000165;SY019472;CS-0044498;FT-0703594;EN300-130703;A876367;J-514681

Chemical Property of 4-Bromo-2-methylthiazole

Chemical Property:

• Boiling Point: 199.2 °C at 760 mmHg
• PKA: 0.66±0.10(Predicted)
• Flash Point: 74.3 °C
• PSA: 41.13000
• Density: 1.702 g/cm³
• LogP: 2.21400
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 176.92478
• Heavy Atom Count: 7
• Complexity: 68.7

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2-methylthiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CS1)Br

Technology Process of 4-Bromo-2-methylthiazole

There total 4 articles about 4-Bromo-2-methylthiazole 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: 80.0%

2,4-dibromo-1,3-thiazole (4175-77-3) + dimethyl sulfate (77-78-1) → 4-bromo-2-methyl-1,3-thiazole (298694-30-1)

Guidance literature:

2,4-dibromo-1,3-thiazole; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 1h; Inert atmosphere;

dimethyl sulfate; In diethyl ether; hexane; at -78 - 20 ℃; for 2.5h; Inert atmosphere;

DOI:10.1134/S1070428010110175

Reference yield: 64.8%

dihydroxy-methyl-borane (13061-96-6) + 2,4-dibromo-1,3-thiazole (4175-77-3) → 4-bromo-2-methyl-1,3-thiazole (298694-30-1)

Guidance literature:

With potassium phosphate; palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; at 60 ℃; for 18h;

Reference yield: 55.0%

dimethylsulfite (616-42-2) → 4-bromo-2-methyl-1,3-thiazole (298694-30-1)

Guidance literature:

2,4-dibromo-1,3-thiazole; With n-butyllithium; In tetrahydrofuran; hexanes; at -78 ℃; for 1h;

dimethylsulfite; In tetrahydrofuran; hexanes; at -78 - 20 ℃;

upstream raw materials:

2,4-dibromo-1,3-thiazole

dimethyl sulfate

methyl trifluoromethanesulfonate

dimethylsulfite

Downstream raw materials:

1-{3-[7-(2-methyl-thiazol-4-yl)-imidazo[1,2-a]pyridin-3-yl]-phenyl}-3-(2,2,2-trifluoro-ethyl)-urea

(E)-3-((2-methylthiazol-4-yl)ethynyl)cyclohex-2-enone oxime

2-methyl-4-[(trimethylsilyl)ethynyl]-1,3-thiazole

tributyl-(2-methylthiazol-4-yl)stannane