Bellidifolin

Base Information

• Chemical Name: Bellidifolin
• CAS No.: 2798-25-6
• Molecular Formula: C14H10O6
• Molecular Weight: 274.23
• Hs Code.: 2932999099
• UNII: X522Q6XJR9
• ChEMBL ID: CHEMBL185776
• DSSTox Substance ID: DTXSID30182262
• Metabolomics Workbench ID: 49976
• Nikkaji Number: J83.278B
• Pharos Ligand ID: AVUWQAN9589X
• Wikidata: Q27067443
• Mol file: 2798-25-6.mol

Synonyms:bellidifolin

Chemical Property of Bellidifolin

Chemical Property:

• Vapor Pressure: 4.6E-14mmHg at 25°C
• Melting Point: 265-267oC
• Refractive Index: 1.714
• Boiling Point: 580.2 °C at 760 mmHg
• PKA: 6.37±0.20(Predicted)
• Flash Point: 228 °C
• PSA: 100.13000
• Density: 1.586 g/cm³
• LogP: 2.07160
• Storage Temp.: 2-8°C
• 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:

98%,99%, ^*data from raw suppliers

Bellidifolin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)O)O
• Uses: 1,5,8-Trihydroxy-3-methoxy-9H-xanthen-9-one is defined as important chemotaxonomic marker of Swertia genus. Also, it exhibits notable hepatoprotective activities against carbon tetrachloride (CCl4)-induced HepG2 cell damage, alleviates the levels of aspartate transaminase (AST), lactate dehydrogenase (LDH) superoxide dismutase (SOD) and malonic dialdehyde.

Technology Process of Bellidifolin

There total 7 articles about Bellidifolin 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: 62.0%

1,3,5,8-tetrahydroxyxanthone (2980-32-7) + methyl iodide (74-88-4) → bellidifolin (2798-25-6)

Guidance literature:

With sodium hydride; In acetone; at -5 - 20 ℃; for 11h;

Reference yield:

swertianolin (23445-00-3) → bellidifolin (2798-25-6)

Guidance literature:

With sulfuric acid; at 120 ℃; for 2h;

Reference yield:

2,6-Dihydroxybenzoic acid (303-07-1) → bellidifolin (2798-25-6)

Guidance literature:

Multi-step reaction with 3 steps

1: phosphorus pentoxide; methanesulfonic acid / 1.5 h / 80 °C

2: potassium hydroxide; dipotassium peroxodisulfate; pyridine / water / 21 h / 20 °C

3: sodium hydride / acetone / 11 h / -5 - 20 °C

With pyridine; dipotassium peroxodisulfate; methanesulfonic acid; phosphorus pentoxide; sodium hydride; potassium hydroxide; In water; acetone;

upstream raw materials:

swertianolin

1,3,5,8-tetrahydroxyxanthone

methyl iodide

2,6-Dihydroxybenzoic acid

Downstream raw materials:

1,8-dihydroxy-3,5,8-trimethoxyxanthone

1,3,5-Trimethoxy-8-hydroxyxanthone

1,3,5,8-tetrahydroxyxanthone

Refernces

• 1、 Markham. "-". . p. 1449,1451. Retrieved 1965.
• 2、 -. "A bellidifodin preparing method". Paragraph 0011; 0012. . Retrieved 2017/05/10.
• 3、 Ghosal, Shibnath,Biswas, Kanika,Jaiswal, Dinesh K.. "XANTHONE AND FLAVONOL CONSTITUENTS OF SWERTIA HOOKERI". . p. 123 - 126. Retrieved 2007/10/02.