4-(Bromomethyl)thiazole

Base Information

• Chemical Name: 4-(Bromomethyl)thiazole
• CAS No.: 52829-53-5
• Molecular Formula: C4H4BrNS
• Molecular Weight: 178.05
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID90432513
• Wikidata: Q72448120
• Mol file: 52829-53-5.mol

Synonyms:4-(bromomethyl)thiazole;52829-53-5;4-(bromomethyl)-1,3-thiazole;Thiazole, 4-(bromomethyl)-;4-(bromomethyl)-thiazole;SCHEMBL345392;DTXSID90432513;ZEQYITAZUKBNKO-UHFFFAOYSA-N;AKOS012322054;CIS-3-HEXENYL2-METHYL-2-PENTENOATE;FT-0647160;A23326;EN300-211486;J-513676

Chemical Property of 4-(Bromomethyl)thiazole

Chemical Property:

• Vapor Pressure: 0.11mmHg at 25°C
• Refractive Index: 1.613
• Boiling Point: 228.605 °C at 760 mmHg
• PKA: 0.45±0.10(Predicted)
• Flash Point: 92.057 °C
• PSA: 41.13000
• Density: 1.752 g/cm³
• LogP: 2.03800
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.92478
• Heavy Atom Count: 7
• Complexity: 59.7

Purity/Quality:

99% ^*data from raw suppliers

4-(BROMOMETHYL)THIAZOLE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CS1)CBr

Technology Process of 4-(Bromomethyl)thiazole

There total 1 articles about 4-(Bromomethyl)thiazole 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:

4-Methylthiazole (693-95-8) → 4-bromomethyl-1,3-thiazole (52829-53-5) + 4-(bromomethyl)-1-chloro-2-methoxybenzene (103347-14-4)

Guidance literature:

With N-Bromosuccinimide;

Reference yield: 81.96%

4-bromomethyl-1,3-thiazole (52829-53-5) + methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-(methylsulfonamido)propanoate → methyl-3-(4-((5H-thiazol-4-yl)methoxy)-3,5-dibromophenyl)-2-(methylsulfonamido)propanoate

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 5 - 20 ℃;

DOI:10.1039/c8nj04385j

Reference yield:

4-bromomethyl-1,3-thiazole (52829-53-5) + methylamine (74-89-5) → 4-<(N-methylamino)methyl>thiazole (120739-94-8)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 18h;

DOI:10.1248/cpb.59.991

upstream raw materials:

4-Methylthiazole

Downstream raw materials:

4-<(N-methylamino)methyl>thiazole

Refernces