3,4,5,6-Tetrahydroxyxanthone

Base Information

• Chemical Name: 3,4,5,6-Tetrahydroxyxanthone
• CAS No.: 99420-08-3
• Molecular Formula: C13H8O6
• Molecular Weight: 260.203
• European Community (EC) Number: 684-984-2
• Nikkaji Number: J524.894I
• Wikidata: Q105172780
• Metabolomics Workbench ID: 137734
• ChEMBL ID: CHEMBL477921

Synonyms:3,4,5,6-tetrahydroxyxanthone

Chemical Property of 3,4,5,6-Tetrahydroxyxanthone

Chemical Property:

• Melting Point: >340 °C (decomp)
• Boiling Point: 487.8±45.0 °C (760 mmHg)
• PSA: 111.13000
• Density: 1.766±0.06 g/cm3 (20 °C, 760 mmHg)
• LogP: 1.76860
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 260.03208797
• Heavy Atom Count: 19
• Complexity: 340

Purity/Quality:

95% ^*data from raw suppliers

3,4,5,6-Tetrahydroxyxanthone hydrate ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C2=C1C(=O)C3=C(O2)C(=C(C=C3)O)O)O)O

Technology Process of 3,4,5,6-Tetrahydroxyxanthone

There total 8 articles about 3,4,5,6-Tetrahydroxyxanthone 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: 95.0%

3,4,5,6-tetramethoxy-xanthen-9-one (109248-52-4) → 3,4,5,6-tetrahydroxy-9H-xanthen-9-one (99420-08-3)

Guidance literature:

With hydrogen iodide; In various solvent(s); at 160 ℃; for 8h;

DOI:10.1002/jps.2600811114

Reference yield: 94.0%

exifone (75440-84-5) → 3,4,5,6-tetrahydroxy-9H-xanthen-9-one (99420-08-3)

Guidance literature:

With sodium acetate; In water; for 0.25h; Microwave irradiation;

DOI:10.1080/00397911.2011.573170

Reference yield:

gallein (2103-64-2) → 3,4,5,6-tetrahydroxy-9H-xanthen-9-one (99420-08-3) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With potassium carbonate; Beim Schmelzen;

upstream raw materials:

gallein

3,4,5,6-tetramethoxy-xanthen-9-one

2,3,4-Trimethoxy-benzoic acid

3,4,5-(trimethoxy)benzoyl chloride

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