Fraxidin

Base Information

• Chemical Name: Fraxidin
• CAS No.: 525-21-3
• Molecular Formula: C11H10O5
• Molecular Weight: 222.197
• Hs Code.: 2932209090
• European Community (EC) Number: 208-370-7
• DSSTox Substance ID: DTXSID70200499
• Nikkaji Number: J11.697A
• Wikidata: Q27155076
• Pharos Ligand ID: 68JLH8WR82F4
• Metabolomics Workbench ID: 74296
• ChEMBL ID: CHEMBL2334351
• Mol file: 525-21-3.mol

Synonyms:fraxiden;fraxidin

Chemical Property of Fraxidin

Chemical Property:

• Vapor Pressure: 8.51E-08mmHg at 25°C
• Melting Point: 196-197 °C
• Refractive Index: 1.587
• Boiling Point: 424.2 °C at 760 mmHg
• PKA: 7.39±0.20(Predicted)
• Flash Point: 171 °C
• PSA: 68.90000
• Density: 1.358 g/cm³
• LogP: 1.51580
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 222.05282342
• Heavy Atom Count: 16
• Complexity: 301

Purity/Quality:

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

Fraxidin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)OC
• Uses: Fraxidin is a coumarins from Jatropha ribifolia.

Technology Process of Fraxidin

There total 6 articles about Fraxidin 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:

fraxin (524-30-1) → fraxidin (525-21-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 mg / methanol

2: 31 mg / 1percent H₂SO₄ / 1 h / Heating

With sulfuric acid; In methanol;

DOI:10.1248/cpb.33.4069

Reference yield:

8-acetyl-6,7-dimethoxycoumarin (263271-48-3) → fraxidin (525-21-3)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide;

DOI:10.1016/0040-4020(59)80073-9

Reference yield:

6,7-dimethoxy-8-glucopyranosyloxycoumarin (58970-71-1) → D-Glucose (2280-44-6) + fraxidin (525-21-3)

Guidance literature:

With sulfuric acid; for 1h; Heating;

DOI:10.1248/cpb.33.4069

upstream raw materials:

diazomethane

7,8-dihydroxy-6-methoxy-2H-1-benzopyran-2-one

8-acetyl-6,7-dimethoxycoumarin

fraxidin 8-O-β-D-glucopyranoside

Downstream raw materials:

6,7,8-trimethoxy-2H-chromen-2-one

Refernces

• 1、 Tsukamoto,Hisada,Nishibe. "Coumarins from bark of Fraxinus japonica and F. mandshurica var. japonica". . p. 4069 - 4073. Retrieved 2007/10/02.