4,5,6,7-Tetrafluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

Base Information

• Chemical Name: 4,5,6,7-Tetrafluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
• CAS No.: 185318-74-5
• Molecular Formula: C20H8 F4 O5
• Molecular Weight: 404.274
• DSSTox Substance ID: DTXSID10433284
• Nikkaji Number: J2.858.037A
• Wikidata: Q82247409
• Mol file: 185318-74-5.mol

Synonyms:185318-74-5;AnthranceA;4,5,6,7-tetrafluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;Anthrance A;tetrafluorofluorescein;SCHEMBL1608876;DTXSID10433284;OJNJOPVFKNLUTF-UHFFFAOYSA-N;MFCD01311093;AKOS015911622;Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,4,5,6,7-tetrafluoro-3',6'-dihydroxy-;4,5,6,7-Tetrafluoro-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

Chemical Property of 4,5,6,7-Tetrafluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

Chemical Property:

• PSA: 75.99000
• LogP: 4.22220
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 404.03078600
• Heavy Atom Count: 29
• Complexity: 653

Purity/Quality:

99% ^*data from raw suppliers

ANTHRANCE A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1O)OC3=C(C24C5=C(C(=C(C(=C5F)F)F)F)C(=O)O4)C=CC(=C3)O

Technology Process of 4,5,6,7-Tetrafluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

There total 4 articles about 4,5,6,7-Tetrafluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one 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: 93.0%

4,5,6,7-tetrafluoroisobenzofuran-1,3-dione (652-12-0) + recorcinol (108-46-3) → 4,5,6,7-tetrafluorofluorescein (185318-74-5)

Guidance literature:

With methanesulfonic acid; at 120 ℃; Microwave irradiation;

DOI:10.1002/ejoc.201000441

Reference yield:

→ 4,5,6,7-tetrafluorofluorescein (185318-74-5) + 2,3,4,6-tetra-O-acetyl-α/β-D-galactopyranose (3947-62-4,6207-76-7,10343-06-3,19235-21-3,22554-70-7,22860-22-6,57884-82-9,62057-79-8,70191-05-8,109525-54-4,140147-37-1,47339-09-3)

Guidance literature:

Reference yield:

4,5,6,7-tetrafluorofluorescein diacetate (185318-75-6) → 4,5,6,7-tetrafluorofluorescein (185318-74-5)

Guidance literature:

upstream raw materials:

4,5,6,7-tetrafluoroisobenzofuran-1,3-dione

recorcinol

4,5,6,7-tetrafluorofluorescein diacetate

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