2,6-DIBROMOBENZOTHIAZOLE

Base Information

• Chemical Name: 2,6-DIBROMOBENZOTHIAZOLE
• CAS No.: 408328-13-2
• Molecular Formula: C7H3Br2NS
• Molecular Weight: 292.98
• Hs Code.: 2934200090
• Mol file: 408328-13-2.mol

Synonyms:benzothiazole, 2,6-dibromo-;2,6-Dibromobenzothiazole;2,6-Dibromo-1,3-benzothiazole;

Chemical Property of 2,6-DIBROMOBENZOTHIAZOLE

Chemical Property:

• Vapor Pressure: 7.78E-05mmHg at 25°C
• Melting Point: 119-121 °C
• Refractive Index: 1.74
• Boiling Point: 352.5 °C at 760 mmHg
• PKA: -0.87±0.10(Predicted)
• Flash Point: 167 °C
• PSA: 41.13000
• Density: 2.114 g/cm³
• LogP: 3.82130
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

2,6-Dibromobenzothiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,6-DIBROMOBENZOTHIAZOLE

There total 4 articles about 2,6-DIBROMOBENZOTHIAZOLE 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: 87.0%

2-amino-6-bromobenzothiazole (15864-32-1) → 2,6-dibromobenzo[d]thiazole (408328-13-2)

Guidance literature:

With copper(ll) bromide; isopentyl nitrite; In acetonitrile; at 0 ℃; for 1h;

DOI:10.1016/j.bmcl.2015.06.049

Reference yield: 76.9%

1,3-Benzothiazole (95-16-9) → 2,6-dibromobenzo[d]thiazole (408328-13-2)

Guidance literature:

With N-Bromosuccinimide; titanium(IV) oxide; In chloroform; at 50 ℃; for 15h; Temperature;

Reference yield:

4-bromo-aniline (106-40-1) → 2,6-dibromobenzo[d]thiazole (408328-13-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid / 0.17 h / 20 °C

1.2: 1.83 h / 25 °C

2.1: copper(ll) bromide; tert.-butylnitrite / acetonitrile / 3 h / 65 °C

With tert.-butylnitrite; acetic acid; copper(ll) bromide; In acetonitrile;

upstream raw materials:

2-amino-6-bromobenzothiazole

1,3-Benzothiazole

4-bromo-aniline

Downstream raw materials:

6-bromo-1,3-benzothiazol-2(3H)-one

Refernces

• 1、 -. "2. 6 - b bromophenylacetic and thiazole synthesis process". Paragraph 0011-0026. . Retrieved 2017/10/13.
• 2、 Xie, Xiao-Xiao,Li, Huan,Wang, Juan,Mao, Shuai,Xin, Min-Hang,Lu, She-Min,Mei, Qi-Bing,Zhang, San-Qi. "Synthesis and anticancer effects evaluation of 1-alkyl-3-(6-(2-methoxy-3-sulfonylaminopyridin-5-yl)benzo[d]thiazol-2-yl)urea as anticancer agents with low toxicity". . p. 6477 - 6485. Retrieved 2015/10/05.