Isoetin

Base Information

• Chemical Name: Isoetin
• CAS No.: 1621-84-7
• Molecular Formula: C15H10 O7
• Molecular Weight: 302.24
• Hs Code.: 2914501900
• DSSTox Substance ID: DTXSID30415168
• Metabolomics Workbench ID: 24023
• Nikkaji Number: J398.729I
• Wikidata: Q27106978
• Mol file: 1621-84-7.mol

Synonyms:Isoetin;1621-84-7;5,7,2',4',5'-Pentahydroxyflavone;CHEBI:6006;5,7-dihydroxy-2-(2,4,5-trihydroxyphenyl)chromen-4-one;SCHEMBL14464104;DTXSID30415168;LMPK12110940;XD160241;Q27106978;5,7-dihydroxy-2-(2,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one

Chemical Property of Isoetin

Chemical Property:

• Vapor Pressure: 3E-19mmHg at 25°C
• Melting Point: 355-360 °C
• Boiling Point: 682.4°Cat760mmHg
• PKA: 6.48±0.40(Predicted)
• Flash Point: 263.3°C
• PSA: 131.36000
• Density: 1.763g/cm³
• LogP: 1.98800
• XLogP3: 1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 302.04265265
• Heavy Atom Count: 22
• Complexity: 477

Purity/Quality:

99% ^*data from raw suppliers

Isoetin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3O)O)O)O

Technology Process of Isoetin

There total 10 articles about Isoetin 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:

isoetin-5′-O-β-D-glucopyranoside → hieracin (1621-84-7)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 0.5h;

DOI:10.1016/0031-9422(88)80018-9

Reference yield:

2,4,6-trihydroxyacetophenone (480-66-0,67471-34-5) → hieracin (1621-84-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 11.5 g

2: 1.8 g

3: 0.6 g / DDQ / dioxane / 9 h / Heating

4: 0.2 g / deisopropylation

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane;

DOI:10.1248/cpb.32.4935

Reference yield:

1-(2-hydroxy-4,6-diisopropoxyphenyl)ethan-1-one (93344-48-0) → hieracin (1621-84-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.8 g

2: 0.6 g / DDQ / dioxane / 9 h / Heating

3: 0.2 g / deisopropylation

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane;

DOI:10.1248/cpb.32.4935

upstream raw materials:

2',4',5,5',7-pentaisopropyloxyflavone

2,4,6-trihydroxyacetophenone

1-(2-hydroxy-4,6-diisopropoxyphenyl)ethan-1-one

3,4-diisopropyloxybenzaldehyde

Refernces

• 1、 Iinuma,Iwashima,Matsuura. "Synthetic studies on flavone derivatives. XIV. Synthesis of 2',4'-5'-trioxygenated flavones". . p. 4935 - 4941. Retrieved 2007/10/02.