CID 4483734

Base Information

• Chemical Name: CID 4483734
• CAS No.: 13241-28-6
• Molecular Formula: C₂₁H₂₀O₉
• Molecular Weight: 416.384
• Wikidata: Q105308675
• Mol file: 13241-28-6.mol

Synonyms:FT-0775394

Chemical Property of CID 4483734

Chemical Property:

• Vapor Pressure: 1.73E-24mmHg at 25°C
• Melting Point: 110 °C
• Refractive Index: 1.702
• Boiling Point: 763.2 °C at 760 mmHg
• PKA: 6.82±0.20(Predicted)
• Flash Point: 272.8 °C
• PSA: 153.75000
• Density: 1.596 g/cm³
• LogP: -0.34530
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 416.11073221
• Heavy Atom Count: 30
• Complexity: 669

Purity/Quality:

98%Min ^*data from raw suppliers

Chrysophanol 8-O-glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC4C(C(C(C(O4)CO)O)O)O
• Uses: Chrysophanol 8-O-glucoside, an anthraquinone derivative in Rhubarb, has shown through studies to exhibit anti-inflammatory and anti-platelet abilities.

Technology Process of CID 4483734

There total 4 articles about CID 4483734 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: 98.0%

3,4,5-Trihydroxy-benzoic acid (2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(8-hydroxy-6-methyl-9,10-dioxo-9,10-dihydro-anthracen-1-yloxy)-tetrahydro-pyran-2-ylmethyl ester → Chrysophanol 8-O-beta-D-glucopyranoside (13241-28-6,67492-66-4)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 1h;

DOI:10.1016/S0968-0896(00)00215-7

Reference yield:

1-hydroxy-3-methyl-8-(tetra-O-acetyl-β-D-glucopyranosyloxy)-anthraquinone → Chrysophanol 8-O-beta-D-glucopyranoside (13241-28-6,67492-66-4)

Guidance literature:

With potassium hydroxide;

Reference yield:

Chrysophanol (481-74-3) → Chrysophanol 8-O-beta-D-glucopyranoside (13241-28-6,67492-66-4)

Guidance literature:

Multi-step reaction with 2 steps

1: silver oxide; quinoline

2: aqueous KOH-solution

With quinoline; potassium hydroxide; silver(l) oxide;

upstream raw materials:

Chrysophanol

2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide

Downstream raw materials:

Chrysophanol

Refernces