6-Methoxy-1,3,7-trihydroxyxanthone

Base Information

• Chemical Name: 6-Methoxy-1,3,7-trihydroxyxanthone
• CAS No.: 59092-97-6
• Molecular Formula: C14H10O6
• Molecular Weight: 274.23
• DSSTox Substance ID: DTXSID90415164
• Metabolomics Workbench ID: 70367
• Wikidata: Q27106959
• Mol file: 59092-97-6.mol

Synonyms:Isoathyriol;6-Methoxy-1,3,7-trihydroxyxanthone;59092-97-6;C10069;AC1NQYSG;1,3,7-trihydroxy-6-methoxy-xanthen-9-one;CTK1H2256;CHEBI:5982;DTXSID90415164;1,3,7-trihydroxy-6-methoxy-9H-xanthen-9-one;Q27106959

Chemical Property of 6-Methoxy-1,3,7-trihydroxyxanthone

Chemical Property:

• Vapor Pressure: 1.99E-14mmHg at 25°C
• Boiling Point: 588.1°C at 760 mmHg
• Flash Point: 231.1°C
• PSA: 100.13000
• Density: 1.586g/cm³
• LogP: 2.07160
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 274.04773803
• Heavy Atom Count: 20
• Complexity: 386

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)OC3=CC(=CC(=C3C2=O)O)O)O

Technology Process of 6-Methoxy-1,3,7-trihydroxyxanthone

There total 3 articles about 6-Methoxy-1,3,7-trihydroxyxanthone 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:

3,5-dihydroxyphenol (108-73-6) + 2,5-dihydroxy-4-methoxybenzoic acid (5981-37-3) → 1,3,7-trihydroxy-6-methoxyxanthone (59092-97-6)

Guidance literature:

With zinc(II) chloride; trichlorophosphate;

DOI:10.1021/ja01540a046

Reference yield:

4-methoxysalicylic acid (2237-36-7) → 1,3,7-trihydroxy-6-methoxyxanthone (59092-97-6)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂S₂O₈; aqueous NaOH

2: phosphoryl chloride; zinc chloride

With sodium hydroxide; dipotassium peroxodisulfate; zinc(II) chloride; trichlorophosphate;

DOI:10.1021/ja01540a046

Reference yield:

→ 1,3,7-trihydroxy-6-methoxyxanthone (59092-97-6)

Guidance literature:

2,5-Dihydroxy-4-methoxy-benzoesaeure, Phloroglucin, ZnCl2, POCl3;

upstream raw materials:

3,5-dihydroxyphenol

2,5-dihydroxy-4-methoxybenzoic acid

4-methoxysalicylic acid

Downstream raw materials:

maclurin

3,5-dihydroxyphenol

norathyriol