2-Bromo-1-(thiazol-4-yl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(thiazol-4-yl)ethanone
• CAS No.: 38923-13-6
• Molecular Formula: C5H4 Br N O S
• Molecular Weight: 206.06036
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID90601601
• Wikidata: Q72451335
• Mol file: 38923-13-6.mol

Synonyms:38923-13-6;2-Bromo-1-(thiazol-4-yl)ethanone;2-Bromo-1-thiazol-4-yl-ethanone;2-Bromo-1-(1,3-thiazol-4-yl)ethanone;2-Bromo-1-(1,3-thiazol-4-yl)ethan-1-one;Ethanone, 2-bromo-1-(4-thiazolyl)- (9CI);2-bromo-1-(thiazol-4-yl)ethan-1-one;2-BROMO-1-(4-THIAZOLYL)-ETHANONE;4-bromoacetyl-thiazole;SCHEMBL8881706;DTXSID90601601;YYTOHMVXPXMLLJ-UHFFFAOYSA-N;2-Bromo-1-(4-thiazolyl)ethanone;MFCD13173091;AKOS017559989;SB36974;DA-26957;SY358299;CS-0365302

Chemical Property of 2-Bromo-1-(thiazol-4-yl)ethanone

Chemical Property:

• Boiling Point: 276.5±15.0 °C(Predicted)
• PKA: -0.33±0.10(Predicted)
• PSA: 58.20000
• Density: 1.763
• LogP: 1.72070
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• 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-4-yl-ethanone 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(N=CS1)C(=O)CBr

Technology Process of 2-Bromo-1-(thiazol-4-yl)ethanone

There total 2 articles about 2-Bromo-1-(thiazol-4-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-4-yl)ethan-1-one (38205-66-2) → 2-bromo-1-(thiazol-4-yl)ethanone (38923-13-6)

Guidance literature:

With bromine; In tetrachloromethane; Heating;

DOI:10.1021/jm00279a026

Reference yield:

→ 2-bromo-1-(thiazol-4-yl)ethanone (38923-13-6)

Guidance literature:

4-Acetylthiazol, Dioxan*Br2;

Reference yield: 9.0%

methanol (67-56-1) + 2-bromo-1-(thiazol-4-yl)ethanone (38923-13-6) + 2-(4-carbomethoxyphenyl)-1-methyl-ethanamine (74733-67-8) → N-[2-(4-Carbomethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(thiazol-4-yl)ethanamine

Guidance literature:

In ethyl acetate;

upstream raw materials:

1-(thiazol-4-yl)ethan-1-one

Downstream raw materials:

6-bromo-2-thiazol-4-yl-imidazo[1,2-a]pyridine