4,5,6,7-Tetrafluoro-2H-isoindole

Base Information

• Chemical Name: 4,5,6,7-Tetrafluoro-2H-isoindole
• CAS No.: 55164-85-7
• Molecular Formula: C8H3F4N
• Molecular Weight: 189.11000
• DSSTox Substance ID: DTXSID40493639
• Nikkaji Number: J2.348.933C
• Wikidata: Q82340450

Synonyms:4,5,6,7-Tetrafluoro-2H-isoindole;55164-85-7;DTXSID40493639;AKOS006319767

Chemical Property of 4,5,6,7-Tetrafluoro-2H-isoindole

Chemical Property:

• PSA: 15.79000
• LogP: 2.72430
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 189.02016175
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

98% ^*data from raw suppliers

4,5,6,7-tetrafluoro-2H-Isoindole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CN1)C(=C(C(=C2F)F)F)F

Technology Process of 4,5,6,7-Tetrafluoro-2H-isoindole

There total 4 articles about 4,5,6,7-Tetrafluoro-2H-isoindole 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: 41.6%

Tetrafluorophthalonitrile (1835-65-0) → 4,5,6,7-tetrafluoro-2H-isoindole (55164-85-7)

Guidance literature:

With sulfuric acid; hydrogen; palladium on activated charcoal; In methanol; at 20 ℃;

DOI:10.1016/j.tetlet.2007.08.063

Reference yield: 23.0%

Tetrafluorophthalonitrile (1835-65-0) → octafluoro-1,1'-biisoindole + 4,5,6,7-tetrafluoro-2H-isoindole (55164-85-7)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at 95 ℃;

DOI:10.1016/j.tetlet.2007.08.063

Reference yield:

Tetrafluorophthalonitrile (1835-65-0) → octafluoro-1,1'-biisoindole + C16H4F8N2O + 4,5,6,7-tetrafluoro-2H-isoindole (55164-85-7) + 4,5,6,7-tetrafluorophthalide (13719-87-4)

Guidance literature:

With sulfuric acid; hydrogen; In methanol; at 20 ℃;

DOI:10.1016/j.tetlet.2007.08.063

upstream raw materials:

Tetrafluorophthalonitrile

Downstream raw materials:

N-methyl-4,5,6,7-tetrafluoroisoindole

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