1H-Benzotriazole,5,6-difluoro-(9CI)

Base Information

• Chemical Name: 1H-Benzotriazole,5,6-difluoro-(9CI)
• CAS No.: 610257-65-3
• Molecular Formula: C6H3F2N3
• Molecular Weight: 155.107
• Hs Code.: 2933990090
• Mol file: 610257-65-3.mol

Synonyms:1H-Benzotriazole,5,6-difluoro-(9CI)

Chemical Property of 1H-Benzotriazole,5,6-difluoro-(9CI)

Chemical Property:

• Melting Point: 183-184℃
• Boiling Point: 368.6±22.0 °C(Predicted)
• PKA: 6.93±0.40(Predicted)
• PSA: 41.57000
• Density: 1.603±0.06 g/cm3(Predicted)
• LogP: 1.23610

Purity/Quality:

NLT 98% ^*data from raw suppliers

5,6-Difluoro-1H-benzo[d][1,2,3]triazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Benzotriazole,5,6-difluoro-(9CI)

There total 5 articles about 1H-Benzotriazole,5,6-difluoro-(9CI) 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: 89.0%

2-amino-4,5-difluoroaniline (76179-40-3) → 5,6-difluoro-1H-benzo[d][1,2,3]triazole (610257-65-3)

Guidance literature:

With acetic acid; In water; at 70 - 80 ℃; for 0.5h;

DOI:10.1080/00397911.2012.744840

Reference yield:

4,5-difluoro-2-nitroaniline (78056-39-0) → 5,6-difluoro-1H-benzo[d][1,2,3]triazole (610257-65-3)

Guidance literature:

Multi-step reaction with 2 steps

1: tin; hydrogenchloride / 1 h / 0 - 30 °C / Inert atmosphere

2: sodium nitrite; acetic acid / water / 1 h / 5 - 20 °C

With hydrogenchloride; tin; acetic acid; sodium nitrite; In water;

DOI:10.1021/cm3017006

Reference yield:

3,4-difluoroacetanilide (458-11-7) → 5,6-difluoro-1H-benzo[d][1,2,3]triazole (610257-65-3)

Guidance literature:

Multi-step reaction with 4 steps

1: sulfuric acid; potassium nitrate / 2 h / 20 °C / Cooling with ice

2: sulfuric acid / 2 h / Reflux

3: palladium 10% on activated carbon; hydrogen / ethanol / 1.5 h

4: hydrogenchloride; sodium nitrite / water / 20 °C / Cooling with ice

With hydrogenchloride; sulfuric acid; palladium 10% on activated carbon; hydrogen; potassium nitrate; sodium nitrite; In ethanol; water;

DOI:10.1016/j.ejmech.2021.113590

upstream raw materials:

2-amino-4,5-difluoroaniline

4,5-difluoro-2-nitroaniline

3,4-difluoroacetanilide

3,4-difluoroaniline

Downstream raw materials:

4,7-dibromo-2-(2-butyloctyl)-5,6-difluoro-2H-benzo[d][1,2,3]triazole

4,7-dibromo-2-(1-octyl)-5,6-difluoro-2H-benzo[d][1,2,3]triazole

Refernces

• 1、 -. "FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN". Page/Page column 58; 71. . Retrieved 2021/02/12.
• 2、 Akulov, Alexey A.,Varaksin, Mikhail V.,Tsmokalyuk, Anton N.,Charushin, Valery N.,Chupakhin, Oleg N.. "Blue-light-promoted radical C-H azolation of cyclic nitrones enabled by Selectfluor". supporting information. p. 2049 - 2057. Retrieved 2021/03/26.