3',4',7-Tri(hydroxyethyl)quercetin

Base Information

• Chemical Name: 3',4',7-Tri(hydroxyethyl)quercetin
• CAS No.: 23077-88-5
• Molecular Formula: C21H22 O10
• Molecular Weight: 434.4
• DSSTox Substance ID: DTXSID90945754
• Mol file: 23077-88-5.mol

Synonyms:3',4',7-Tri(hydroxyethyl)quercetin;23077-88-5;CCRIS 1797;DTXSID90945754;2-[3,4-dihydroxy-3,4-bis(2-hydroxyethyl)cyclohexa-1,5-dien-1-yl]-3,5,7-trihydroxy-7-(2-hydroxyethyl)-8H-chromen-4-one;2-[3,4-Dihydroxy-3,4-bis(2-hydroxyethyl)cyclohexa-1,5-dien-1-yl]-3,5,7-trihydroxy-7-(2-hydroxyethyl)-7,8-dihydro-4H-1-benzopyran-4-one

Chemical Property of 3',4',7-Tri(hydroxyethyl)quercetin

Chemical Property:

• Vapor Pressure: 5.46E-30mmHg at 25°C
• Boiling Point: 805.1°C at 760 mmHg
• Flash Point: 282.3°C
• Density: 1.64g/cm³
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 438.15259702
• Heavy Atom Count: 31
• Complexity: 926

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(=CC1(CCO)O)O)C(=O)C(=C(O2)C3=CC(C(C=C3)(CCO)O)(CCO)O)O

Technology Process of 3',4',7-Tri(hydroxyethyl)quercetin

There total 4 articles about 3',4',7-Tri(hydroxyethyl)quercetin 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: 56.6%

troxerutin → 3,5-Dihydroxy-3',4',7-tri-(β-hydroxyethoxy)flavon (23077-88-5)

Guidance literature:

With sulfuric acid; In water; for 3h; Reflux;

Reference yield:

troxerutin (7085-55-4) → 3,5-Dihydroxy-3',4',7-tri-(β-hydroxyethoxy)flavon (23077-88-5)

Guidance literature:

With hydrogenchloride; In methanol; Yield given; Heating;

DOI:10.1002/ardp.19853180814

Reference yield:

rutin (153-18-4) → 3,5-Dihydroxy-3',4',7-tri-(β-hydroxyethoxy)flavon (23077-88-5)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylformamide / 0.13 h / Heating

2: 2 N aq. HCl / methanol / Heating

With hydrogenchloride; potassium carbonate; In methanol; N,N-dimethyl-formamide;

DOI:10.1002/ardp.19853180814

upstream raw materials:

troxerutin

rutin

Refernces

• 1、 Wurm,Rehn. "Hydroxyalkoxyflavonoids, I: Regioselective syntheses of O-hydroxyethylquercetin derivatives". . p. 747 - 753. Retrieved 2007/10/02.