4,5,6,7-Tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydro-2-benzofuran

Base Information

• Chemical Name: 4,5,6,7-Tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydro-2-benzofuran
• CAS No.: 20687-94-9
• Molecular Formula: C8Cl4F4O
• Molecular Weight: 329.893
• DSSTox Substance ID: DTXSID30552022
• Wikidata: Q82431983
• Mol file: 20687-94-9.mol

Synonyms:20687-94-9;4,5,6,7-Tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydro-2-benzofuran;SCHEMBL22342647;DTXSID30552022;PPBOBVMQIXWDTC-UHFFFAOYSA-N;Isobenzofuran, 4,5,6,7-tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydro-

Chemical Property of 4,5,6,7-Tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydro-2-benzofuran

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 329.860988
• Heavy Atom Count: 17
• Complexity: 299

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(OC2(F)F)(F)F

Technology Process of 4,5,6,7-Tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydro-2-benzofuran

There total 1 articles about 4,5,6,7-Tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydro-2-benzofuran 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:

tetrachlorophthalic anhydride (117-08-8) → 4,5,6,7-tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydroisobenzofuran (20687-94-9) + 3,4,5,6-tetrachloro-2-(trifluoromethyl)benzoyl fluoride (114566-70-0)

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; at 190 - 200 ℃; for 16h;

DOI:10.1016/S0022-1139(00)81978-8

Reference yield: 92.0%

4,5,6,7-tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydroisobenzofuran (20687-94-9) → octafluoro-1,3-dihydroisobenzofuran (122180-11-4)

Guidance literature:

With potassium fluoride; In sulfolane; at 210 - 220 ℃; for 1.5h;

DOI:10.1016/S0022-1139(00)81547-X

Reference yield:

4,5,6,7-tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydroisobenzofuran (20687-94-9) → 3,4,5,6-tetrafluorophthalic acid (652-03-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / potassium fluoride / tetrahydrothiophene 1,1-dioxide / 1.5 h / 210 - 220 °C

2: 94 percent / sulphuric acid / 3 h / Heating

With potassium fluoride; sulfuric acid; In sulfolane;

DOI:10.1016/S0022-1139(00)81547-X

upstream raw materials:

tetrachlorophthalic anhydride

Downstream raw materials:

4-chloro-1,1,3,3,5,6,7-heptafluoro-1,3-dihydroisobenzofuran

5-chloro-1,1,3,3,4,6,7-heptafluoro-1,3-dihydroisobenzofuran

4,6-dichloro-1,1,3,3,5,7-hexafluoro-1,3-dihydroisobenzofuran

5,6-dichloro-1,1,3,3,4,7-hexafluoro-1,3-dihydroisobenzofuran