5-(4-BROMO-PHENYL)-ISOTHIAZOLE

Base Information

• Chemical Name: 5-(4-BROMO-PHENYL)-ISOTHIAZOLE
• CAS No.: 284680-72-4
• Molecular Formula: C9H6BrNS
• Molecular Weight: 240.123
• Mol file: 284680-72-4.mol

Synonyms:4-Bromo-5-phenyl-isothiazole;4-Brom-5-phenyl-isothiazol;

Chemical Property of 5-(4-BROMO-PHENYL)-ISOTHIAZOLE

Chemical Property:

• Melting Point: 50 - 52 °C
• PSA: 41.13000
• LogP: 3.57260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-(4-BROMO-PHENYL)-ISOTHIAZOLE

There total 4 articles about 5-(4-BROMO-PHENYL)-ISOTHIAZOLE 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: 89.8%

5-phenylisothiazole (1075-21-4) → 4-bromo-5-phenylisothiazole (284680-72-4)

Guidance literature:

With bromine; potassium acetate; In acetic acid; for 2h; Heating;

DOI:10.1021/jo991785y

Reference yield:

3-amino-4-bromo-5-phenylisothiazole (90792-75-9) → 4-bromo-5-phenylisothiazole (284680-72-4)

Guidance literature:

With hypophosphorous acid; cis-nitrous acid;

DOI:10.1021/jm00307a040

Reference yield:

(Z)-3-chloro-3-phenyl-2-propenal (33603-87-1) → 4-bromo-5-phenylisothiazole (284680-72-4)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium thiocyanate / acetone / 80 °C / Inert atmosphere

2: acetic acid; potassium acetate; bromine / 25 °C

With ammonium thiocyanate; bromine; potassium acetate; acetic acid; In acetone;

upstream raw materials:

3-amino-4-bromo-5-phenylisothiazole

5-phenylisothiazole

(Z)-3-chloro-3-phenyl-2-propenal

acetophenone

Downstream raw materials:

4-deuterio-5-phenylisothiazole

5-phenyl-isothiazole-4-carbonitrile

Refernces

• 1、 Pavlik, James W.,Tongcharoensirikul, Pakamas. "Photochemistry of 3- and 5-phenylisothiazoles. Competing phototransposition pathways". . p. 3626 - 3631. Retrieved 2007/10/03.