2-Bromo-1-(thiazol-5-yl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(thiazol-5-yl)ethanone
• CAS No.: 201470-17-9
• Molecular Formula: C5H4BrNOS
• Molecular Weight: 206.063
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID50599398
• Wikidata: Q82495277
• Mol file: 201470-17-9.mol

Synonyms:201470-17-9;2-Bromo-1-(thiazol-5-yl)ethanone;2-BROMO-1-THIAZOL-5-YL-ETHANONE;2-Bromo-1-(1,3-thiazol-5-yl)ethanone;2-Bromo-1-(1,3-thiazol-5-yl)ethan-1-one;5-(2-Bromoacetyl)thiazole;2-BROMO-1-(5-THIAZOLYL)-ETHANONE;Ethanone, 2-bromo-1-(5-thiazolyl)- (9CI);SCHEMBL8684790;DTXSID50599398;ZKRUDPZDHZBPDZ-UHFFFAOYSA-N;BIA47017;SB35164;DB-338151;CS-0436370

Chemical Property of 2-Bromo-1-(thiazol-5-yl)ethanone

Chemical Property:

• Boiling Point: 276.5±15.0 °C(Predicted)
• PKA: 0.28±0.10(Predicted)
• PSA: 58.20000
• Density: 1.763±0.06 g/cm3(Predicted)
• LogP: 1.72070
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.91970
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-1-thiazol-5-yl-ethanone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC=N1)C(=O)CBr

Technology Process of 2-Bromo-1-(thiazol-5-yl)ethanone

There total 3 articles about 2-Bromo-1-(thiazol-5-yl)ethanone 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:

1-(thiazol-5-yl) ethan-1-one (91516-28-8) → 2-bromo-1-(thiazol-5-yl)ethanone (201470-17-9)

Guidance literature:

With hydrogen bromide; bromine; acetic acid; at 0 - 75 ℃;

DOI:10.1016/j.bmcl.2007.03.043

Reference yield:

N,N'-Dibromobarbituric acid → 2-bromo-1-(thiazol-5-yl)ethanone (201470-17-9)

Guidance literature:

In tetrahydrofuran; diethyl ether;

Reference yield:

→ 2-bromo-1-(thiazol-5-yl)ethanone (201470-17-9)

Guidance literature:

With bromine; acetic acid; at 100 ℃; for 3h; Cooling with ice;

upstream raw materials:

1-(thiazol-5-yl) ethan-1-one

Downstream raw materials:

2-{2-[3-(3-Morpholin-4-yl-propoxy)-phenyl]-pyrrolidin-1-yl}-1-thiazol-5-yl-ethanone