4,7-Bis(5-bromo-4-octylthiophen-2-yl)benzo[c][1,2,5]thiadiazole

Base Information

• Chemical Name: 4,7-Bis(5-bromo-4-octylthiophen-2-yl)benzo[c][1,2,5]thiadiazole
• CAS No.: 457931-23-6
• Molecular Formula: C30H38Br2N2S3
• Molecular Weight: 682.651
• Mol file: 457931-23-6.mol

Synonyms:4,7-Bis(5-bromo-4-octylthiophen-2-yl)benzo[c][1,2,5]thiadiazole;4,7-Bis(5-bromo-4-n-octyl-2-thienyl)-2,1,3-benzothiadiazole;4,7-Bis-(5-bromo-4-octyl-thiophen-2-yl)-benzo[1,2,5]thiadiazole;4-(2-(5-Bromo-4-octyl-thiophen))-7-(2-(4-octylthiophen))-2,1,3-benzothiadiazole

Chemical Property of 4,7-Bis(5-bromo-4-octylthiophen-2-yl)benzo[c][1,2,5]thiadiazole

Chemical Property:

• Boiling Point: 661.9±50.0 °C(Predicted)
• PKA: -1.56±0.50(Predicted)
• PSA: 110.50000
• Density: 1.351±0.06 g/cm3(Predicted)
• LogP: 12.47930

Purity/Quality:

99%, ^*data from raw suppliers

4,7-Bis(5-bromo-4-n-octyl-2-thienyl)-2,1,3-benzothiadiazole >97.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4,7-Bis(5-bromo-4-octylthiophen-2-yl)benzo[c][1,2,5]thiadiazole

There total 1 articles about 4,7-Bis(5-bromo-4-octylthiophen-2-yl)benzo[c][1,2,5]thiadiazole 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:

3-octylthiophene (65016-62-8,104934-51-2) → 4,7-bis(5-bromo-4-octylthiophen-2-yl)benzo[c]-[1,2,5]thiadiazole (457931-23-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: lithium diisopropyl amide / tetrahydrofuran; hexane / 1 h / -80 °C / Inert atmosphere

1.2: -80 - 20 °C / Inert atmosphere

2.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,2-dimethoxyethane; water / 12 h / Inert atmosphere; Reflux

3.1: N-Bromosuccinimide / chloroform; N,N-dimethyl-formamide / Reflux

With N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; lithium diisopropyl amide; In tetrahydrofuran; 1,2-dimethoxyethane; hexane; chloroform; water; N,N-dimethyl-formamide;

DOI:10.1246/cl.141155

Reference yield: 70.0%

4,7-bis(5-bromo-4-octylthiophen-2-yl)benzo[c]-[1,2,5]thiadiazole (457931-23-6) + C33H31BN2O2 → 4,7-bis{5-[4-(2-[4-(N,N-diphenylamino)phenyl]-1-nitrilethenyl)phenyl]-4-octylthiophen-2-yl}benzo[c][1,2,5]thiadiazole

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; toluene; at 110 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.dyepig.2015.02.017

Reference yield: 70.0%

4,7-bis(5-bromo-4-octylthiophen-2-yl)benzo[c]-[1,2,5]thiadiazole (457931-23-6) + 4-cyanophenylboronic acid (126747-14-6) → C44H46N4S3

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,2-dimethoxyethane; water; for 20h; Inert atmosphere; Reflux;

DOI:10.1246/cl.141155

upstream raw materials:

3-octylthiophene

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