5,6-Bis(octyloxy)benzo-2,1,3-oxadiazole

Base Information

• Chemical Name: 5,6-Bis(octyloxy)benzo-2,1,3-oxadiazole
• CAS No.: 1314801-34-7
• Molecular Formula: C₂₂H₃₆N₂O₃
• Molecular Weight: 376.539
• Hs Code.: 2934999090
• Mol file: 1314801-34-7.mol

Synonyms:5,6-Bis(octyloxy)benzo-2,1,3-oxadiazole;5,6-Bis(octyloxy)benzo[c][1,2,5]oxadiazole

Chemical Property of 5,6-Bis(octyloxy)benzo-2,1,3-oxadiazole

Chemical Property:

• Boiling Point: 466.9±48.0 °C(Predicted)
• PKA: -0.06±0.50(Predicted)
• PSA: 57.38000
• Density: 1.012±0.06 g/cm3(Predicted)
• LogP: 6.70140
• Storage Temp.: 2-8°C

Purity/Quality:

98% purity ^*data from raw suppliers

5,6-Bis(octyloxy)benzo[c][1,2,5]oxadiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5,6-Bis(octyloxy)benzo-2,1,3-oxadiazole

There total 4 articles about 5,6-Bis(octyloxy)benzo-2,1,3-oxadiazole 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: 63.0%

1,2-bis(octyloxy)-4,5-dinitrobenzene (156777-91-2) → 5,6-bis(octyloxy)benzo[c][1,2,5]oxadiazole (1314801-34-7)

Guidance literature:

1,2-dinitro-4,5-bis(octyloxy)benzene; With sodium azide; tetrabutylammomium bromide; In toluene; Reflux;

With triphenylphosphine; In toluene; for 24h; Reflux;

DOI:10.1039/c1cc12040a

Reference yield:

1-bromo-octane (111-83-1) → 5,6-bis(octyloxy)benzo[c][1,2,5]oxadiazole (1314801-34-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 40 h / 100 °C / Inert atmosphere

2.1: nitric acid; acetic acid / dichloromethane / 41 h / 10 - 20 °C

3.1: sodium azide; tetrabutylammomium bromide / toluene / Reflux

3.2: 24 h / Reflux

With sodium azide; tetrabutylammomium bromide; nitric acid; potassium carbonate; acetic acid; In dichloromethane; N,N-dimethyl-formamide; toluene;

DOI:10.1039/c1cc12040a

Reference yield:

1,2-dioctyloxybenzene (4956-41-6) → 5,6-bis(octyloxy)benzo[c][1,2,5]oxadiazole (1314801-34-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: nitric acid; acetic acid / dichloromethane / 41 h / 10 - 20 °C

2.1: sodium azide; tetrabutylammomium bromide / toluene / Reflux

2.2: 24 h / Reflux

With sodium azide; tetrabutylammomium bromide; nitric acid; acetic acid; In dichloromethane; toluene;

DOI:10.1039/c1cc12040a

upstream raw materials:

1-bromo-octane

1,2-dioctyloxybenzene

benzene-1,2-diol

1,2-bis(octyloxy)-4,5-dinitrobenzene

Downstream raw materials:

4,7-dibromo-5,6-bis(octyloxy)benzo[c][1,2,5]oxadiazole