5,6-difluorobenzo[c][1,2,5]thiadiazole

Base Information

• Chemical Name: 5,6-difluorobenzo[c][1,2,5]thiadiazole
• CAS No.: 1293389-28-2
• Molecular Formula: C6H2F2N2S
• Molecular Weight: 172.158
• Hs Code.: 2934999090
• Mol file: 1293389-28-2.mol

Synonyms:5,6-difluorobenzo[c][1,2,5]thiadiazole;5,6-Difluoro-2,1,3-benzothiadiazole;5,6-Difluoro-benzo[1,2,5]thiadiazole

Chemical Property of 5,6-difluorobenzo[c][1,2,5]thiadiazole

Chemical Property:

• Melting Point: 66.0 to 70.0 °C
• Boiling Point: 218.2±20.0 °C(Predicted)
• PKA: -1.44±0.50(Predicted)
• PSA: 54.02000
• Density: 1.595±0.06 g/cm3(Predicted)
• LogP: 1.96950
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99%, ^*data from raw suppliers

5,6-Difluoro-2,1,3-benzothiadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5,6-difluorobenzo[c][1,2,5]thiadiazole

There total 3 articles about 5,6-difluorobenzo[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: 90.0%

2-amino-4,5-difluoroaniline (76179-40-3) → 5,6‐difluoro‐2,1,3‐benzothiadiazole (1293389-28-2)

Guidance literature:

With thionyl chloride; triethylamine; In chloroform; Reflux; Inert atmosphere;

Reference yield: 53.0%

methylene chloride (CH2Cl2) + 2-amino-4,5-difluoroaniline (76179-40-3) → 5,6‐difluoro‐2,1,3‐benzothiadiazole (1293389-28-2)

Guidance literature:

With thionyl chloride; triethylamine; In ethyl acetate;

Reference yield:

4,5-difluoro-2-nitroaniline (78056-39-0) → 5,6‐difluoro‐2,1,3‐benzothiadiazole (1293389-28-2)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / methanol; acetic acid / 72 h / 20 °C / Inert atmosphere

2: thionyl chloride; triethylamine / chloroform / 5 h / Reflux

With thionyl chloride; palladium 10% on activated carbon; hydrogen; triethylamine; In methanol; chloroform; acetic acid;

DOI:10.1002/anie.201005451

upstream raw materials:

4,5-difluoro-2-nitroaniline

2-amino-4,5-difluoroaniline

Downstream raw materials:

5,6-difluoro-4,7-bis-(5-bromo-4-(2-ethylhexyl)-2-thienyl)-2,1,3-benzothiadiazole

4,7-bis(5-bromothiophen-2-yl)-5,6-difluorobenzo[c]-[1,2,5]thiadiazole

4,4'-(5',5'''-(5,6-difluorobenzo[c][1,2,5]thiadiazole-4,7-diyl)bis([2'',2'''-bithiophene]-5'',5'-diyl))

4,7-di(4-hexyl-5-bromothiophen-2-yl)-5,6-difluorine-2,1,3-benzothiadiazole

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