Cynodontin

Base Information

• Chemical Name: Cynodontin
• CAS No.: 476-43-7
• Molecular Formula: C₁₅H₁₀O₆
• Molecular Weight: 286.241
• NSC Number: 114343
• UNII: XV8PGZ10OT
• DSSTox Substance ID: DTXSID90197211
• Nikkaji Number: J12.543A
• Wikidata: Q83070156
• ChEMBL ID: CHEMBL1968934
• Mol file: 476-43-7.mol

Synonyms:3-methyl-1,4,5,8-tetrahydroxyanthraquinone;cynodontin

Chemical Property of Cynodontin

Chemical Property:

• Vapor Pressure: 4.81E-14mmHg at 25°C
• Melting Point: 260-261ºC
• Boiling Point: 579.8 °C at 760 mmHg
• PKA: 7.08±0.20(Predicted)
• Flash Point: 318.5 °C
• PSA: 115.06000
• Density: 1.693 g/cm³
• LogP: 1.59280
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 286.04773803
• Heavy Atom Count: 21
• Complexity: 463

Purity/Quality:

98% ^*data from raw suppliers

Cynodontin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)O)O
• Uses: Cynodontin is a secondary fungal metabolite and dyestuff intermediate. Displays antifungal properties.

Technology Process of Cynodontin

There total 13 articles about Cynodontin 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: 21.0%

1,4,5-trimethoxy-2-methylanthracene-9,10-dione (50457-06-2) → cynodontin (476-43-7) + 1,4-dihydroxy-5-methoxy-2-methylanthracene-1,4-dione (71786-00-0) + 5,8-Dihydroxy-6-methyl-1,4:9,10-anthradichinon (84542-47-2)

Guidance literature:

With silver(II) oxide; nitric acid; In water;

DOI:10.1002/jlac.198219821210

Reference yield:

1,4,5,8-tetramethoxy-2-methyl-anthraquinone (72030-20-7) → cynodontin (476-43-7)

Guidance literature:

With pyridine hydrochloride; at 180 ℃;

DOI:10.1021/jo00394a012

Reference yield:

5,8-Dihydroxy-6-methyl-1,4:9,10-anthradichinon (84542-47-2) → cynodontin (476-43-7)

Guidance literature:

With sodium dithionite; In diethyl ether; chloroform;

DOI:10.1002/jlac.198219821210

upstream raw materials:

3,6-dimethoxyphthalic anhydride

2,5-dimethoxy toluene

3,6-dimethoxy-4-methylphthalic anhydride

1,4-dimethoxybezene

Refernces

• 1、 Cameron, Donald W.,Feutrill, Geoffrey I.,McKay, Peter G.. "Regiospecific Synthesis of Quinizarin and Naphthazarin Derivatives by Cycloaddition". . p. 2095 - 2109. Retrieved 2007/10/02.