5-18-05-00186 (Beilstein Handbook Reference)

Base Information

• Chemical Name: 5-18-05-00186 (Beilstein Handbook Reference)
• CAS No.: 22172-17-4
• Molecular Formula: C₁₅H₁₂O₆
• Molecular Weight: 288.257
• Hs Code.: 2932999099
• ChEMBL ID: CHEMBL3704820
• DSSTox Substance ID: DTXSID50176709
• Metabolomics Workbench ID: 70373
• Nikkaji Number: J167.461G
• Wikidata: Q27105429
• Mol file: 22172-17-4.mol

Synonyms:1,8-Dihydroxy-3,7-dimethoxyxanthen-9-one;1,8-Dihydroxy-3,7-dimethoxyxanthone;Methylswertianin;Svercyaperenin;Swertiaperenine;Swertiaperennin;Xanthen-9-one,1,8-dihydroxy-2,6-dimethoxy-(8CI);1,3,7,8-Tetrahydroxyxanthone 3,7-dimethylether;1,8-Dihydroxy-2,6-dimethoxyxanthone;

Chemical Property of 5-18-05-00186 (Beilstein Handbook Reference)

Chemical Property:

• Vapor Pressure: 1.51E-12mmHg at 25°C
• Melting Point: 191-192℃
• Refractive Index: 1.652
• Boiling Point: 546.3 °C at 760 mmHg
• PKA: 6.39±0.20(Predicted)
• Flash Point: 210.6 °C
• PSA: 89.13000
• Density: 1.452 g/cm³
• LogP: 2.37460
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 288.06338810
• Heavy Atom Count: 21
• Complexity: 400

Purity/Quality:

≥98% ^*data from raw suppliers

Methylswertianin >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)O
• Uses: 1,8-Dihydroxy-2,6-dimethoxy-9H-xanthen-9-one is known to have therapeutic effect against ulcerative colitis (UC) fibrosis. Antiproliferative agent.

Technology Process of 5-18-05-00186 (Beilstein Handbook Reference)

There total 2 articles about 5-18-05-00186 (Beilstein Handbook Reference) 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:

1-O-gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone → swertiaperennin (22172-17-4)

Guidance literature:

Acid hydrolysis;

DOI:10.1016/S0031-9422(02)00231-5

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 1,3,8-trihydroxy-7-methoxyxanthone (5042-15-9) → swertiaperennin (22172-17-4)

Guidance literature:

Reference yield: 19.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + swertiaperennin (22172-17-4) → 1,2-dimethylswertianin (479-99-2) + decussatin (20882-69-3) + 1,3,7,8-tetramethoxyxanthone (20882-73-9)

Guidance literature:

In methanol; diethyl ether;

DOI:10.1248/cpb.32.2290

upstream raw materials:

diazomethane

1,3,8-trihydroxy-7-methoxyxanthone

Downstream raw materials:

1,2-dimethylswertianin

decussatin

1,3,7,8-tetramethoxyxanthone