1,1,3,3,4,5,6,7-Octafluoro-1,3-dihydro-isobenzofuran

Base Information

• Chemical Name: 1,1,3,3,4,5,6,7-Octafluoro-1,3-dihydro-isobenzofuran
• CAS No.: 122180-11-4
• Molecular Formula: C8F8 O
• Molecular Weight: 264.075
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID70557218
• Wikidata: Q82439058
• Mol file: 122180-11-4.mol

Synonyms:122180-11-4;1,1,3,3,4,5,6,7-Octafluoro-1,3-dihydro-isobenzofuran;octafluoro-1,3-dihydroisobenzofuran;1,1,3,3,4,5,6,7-octafluoro-2-benzofuran;Isobenzofuran, 1,1,3,3,4,5,6,7-octafluoro-1,3-dihydro-;SCHEMBL22342648;DTXSID70557218;IJZMJXAMUGVDJY-UHFFFAOYSA-N;octafluoro-1,3-dihydroisobenzofurane;MFCD04972947;1,1,3,3,4,5,6,7-Octafluoro-1,3-dihydro-2-benzofuran

Chemical Property of 1,1,3,3,4,5,6,7-Octafluoro-1,3-dihydro-isobenzofuran

Chemical Property:

• Boiling Point: 128.3 °C
• PSA: 9.23000
• Density: 1.75±0.1 g/cm3(Predicted)
• LogP: 3.37180
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 263.98213992
• Heavy Atom Count: 17
• Complexity: 291

Purity/Quality:

99%+ ^*data from raw suppliers

Perfluoroisobenzofuran 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12=C(C(=C(C(=C1F)F)F)F)C(OC2(F)F)(F)F

Technology Process of 1,1,3,3,4,5,6,7-Octafluoro-1,3-dihydro-isobenzofuran

There total 3 articles about 1,1,3,3,4,5,6,7-Octafluoro-1,3-dihydro-isobenzofuran 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: 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:

3,4,5,6-tetrafluorophthalic acid (652-03-9) → decafluoro-o-xylene (1978-04-7) + octafluoro-1,3-dihydroisobenzofuran (122180-11-4) + 3,4,5,6-tetrafluoro-2-trifluoromethylbenzoyl fluoride

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; at 300 ℃; for 20h; Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0022-1139(00)80039-1

Reference yield:

4,5,6,7-tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydroisobenzofuran (20687-94-9) → 4-chloro-1,1,3,3,5,6,7-heptafluoro-1,3-dihydroisobenzofuran (124862-98-2) + 5-chloro-1,1,3,3,4,6,7-heptafluoro-1,3-dihydroisobenzofuran (124862-99-3) + 4,6-dichloro-1,1,3,3,5,7-hexafluoro-1,3-dihydroisobenzofuran (124863-00-9) + 5,6-dichloro-1,1,3,3,4,7-hexafluoro-1,3-dihydroisobenzofuran (124863-01-0) + 4,5,6-trichloro-1,1,3,3,7-pentafluoro-1,3-dihydroisobenzofuran (124863-02-1) + octafluoro-1,3-dihydroisobenzofuran (122180-11-4)

Guidance literature:

With thiophene; potassium fluoride; at 140 - 200 ℃; for 4h; Product distribution; other chlorofluoro-1,3-dihydroisobenzofurans, var. temp, var. time, var. reagents;

upstream raw materials:

4,5,6,7-tetrachloro-1,1,3,3-tetrafluoro-1,3-dihydroisobenzofuran

3,4,5,6-tetrafluorophthalic acid

Downstream raw materials:

6-trifluoromethyl-2,3,4,5-tetrafluorobenzoic acid

3,4,6-trifluoro-5-hydroxyphthalic acid

3,4,5-trifluoro-6-hydroxyphthalic acid

3,4,5,6-tetrafluorophthalic acid