Questinol

Base Information

• Chemical Name: Questinol
• CAS No.: 35688-09-6
• Molecular Formula: C16H12O6
• Molecular Weight: 300.2629
• DSSTox Substance ID: DTXSID50189192
• Nikkaji Number: J269.595B
• Wikidata: Q27155288
• Metabolomics Workbench ID: 46546
• Mol file: 35688-09-6.mol

Synonyms:Questinol;35688-09-6;1,6-dihydroxy-3-(hydroxymethyl)-8-methoxyanthracene-9,10-dione;omega-Hydroxymethylemodin;1,6-Dihydroxy-3-(hydroxymethyl)-8-methoxy-9,10-anthracenedione;9,10-Anthracenedione, 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxy-;Questinol_120239;SCHEMBL16226232;CHEBI:81349;DTXSID50189192;AKOS040762261;C17811;1,6-Dihydroxy-3-hydroxymethyl-8-methoxyanthraquinone;Q27155288;1-Hydroxy-3-(hydroxymethyl)-6-hydroxy-8-methoxy-9,10-anthraquinone;1,6-dihydroxy-3-(hydroxymethyl)-8-methoxy-9,10-dihydroanthracene-9,10-dione

Chemical Property of Questinol

Chemical Property:

• Vapor Pressure: 9.12E-17mmHg at 25°C
• Boiling Point: 630.5°Cat760mmHg
• Flash Point: 241.4°C
• Density: 1.549g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 300.06338810
• Heavy Atom Count: 22
• Complexity: 464

Purity/Quality:

99%+, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)CO)O

Technology Process of Questinol

There total 1 articles about Questinol 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:

citreorosein (481-73-2) + methyl iodide (74-88-4) → ω-hydroxyemodin-5-methyl ether (35688-09-6) + 6,8-dihydroxy-3-(hydroxymethyl)-1-methoxyanthra-9,10-quinone (478-35-3)

Guidance literature:

citreorosein; With boric acid; acetic anhydride;

methyl iodide; With potassium carbonate;

With sodium hydroxide;

DOI:10.1016/j.bmc.2009.09.024

Reference yield:

ω-hydroxyemodin-5-methyl ether (35688-09-6) → hydrodesmethylsulochrin

Guidance literature:

With oxygen; dioxygenase GedK from Aspergillus terreus AT₀₁; reductase GedF from Aspergillus terreus AT₀₁; NADPH; In aq. buffer; at 28 ℃; for 0.1h; Enzymatic reaction;

DOI:10.1021/jacs.1c07182

upstream raw materials:

citreorosein

methyl iodide

Refernces