4-bromo-2,1,3-benzoxodiazole

Base Information

• Chemical Name: 4-bromo-2,1,3-benzoxodiazole
• CAS No.: 35036-93-2
• Molecular Formula: C6H3 Br N2 O
• Molecular Weight: 199
• Hs Code.: 2934999090
• Mol file: 35036-93-2.mol

Synonyms:Benzofurazan,4-bromo-; 4-Bromobenzofurazan

Chemical Property of 4-bromo-2,1,3-benzoxodiazole

Chemical Property:

• Melting Point: 107 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• Boiling Point: 255.8±32.0 °C(Predicted)
• PKA: -1.92±0.45(Predicted)
• PSA: 38.92000
• Density: 1.826±0.06 g/cm3(Predicted)
• LogP: 1.98530

Purity/Quality:

99% ^*data from raw suppliers

4-bromo-2,1,3-benzoxadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-bromo-2,1,3-benzoxodiazole

There total 5 articles about 4-bromo-2,1,3-benzoxodiazole 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: 93.0%

1,3-dibromo-2-nitrosobenzene (45739-16-0) → 4-bromobenzo[c][1,2,5] oxadiazole (35036-93-2)

Guidance literature:

With sodium azide; In dimethyl sulfoxide; at 20 - 120 ℃; for 2.08333h;

Reference yield: 66.0%

1,3-dibromo-2-nitrobenzene (13402-32-9) → 4-bromobenzo[c][1,2,5] oxadiazole (35036-93-2)

Guidance literature:

With sodium azide; In dimethyl sulfoxide; at 20 - 125 ℃;

DOI:10.1007/s11172-011-0353-y

Reference yield:

2,6-dibromoaniline (608-30-0) → 4-bromobenzo[c][1,2,5] oxadiazole (35036-93-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 3-chloro-benzenecarboperoxoic acid / chloroform / 20 °C

2: sodium azide / dimethyl sulfoxide / 2.17 h / 20 - 120 °C

With sodium azide; 3-chloro-benzenecarboperoxoic acid; In chloroform; dimethyl sulfoxide;

upstream raw materials:

1,3-dibromo-2-nitrosobenzene

1,3-dibromo-2-nitrobenzene

2,6-dibromoaniline

Downstream raw materials:

4-bromo-7-nitro-2,1,3-benzoxadiazole

4-(4-methoxyphenyl)benzo[c][1,2,5]oxadiazole

4-diphenylphosphino-7-methylthio-2,1,3-benzoxadiazole

4,7-dibromobenzo[c][1,2,5]oxadiazole

Refernces

• 1、 -. "Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans". Paragraph 0065; 0258. . Retrieved 2018/08/20.
• 2、 Vasil'ev,Struchkova,Sheremetev,Levinson,Varganov,Lyssenko. "Furazan-containing bromoarenes in the Suzuki-Miyaura reaction". . p. 2306 - 2314. Retrieved 2012/10/30.