Fragilin

Base Information

• Chemical Name: Fragilin
• CAS No.: 2026-19-9
• Molecular Formula: C16H11ClO5
• Molecular Weight: 318.71
• UNII: 5FI0O7S06V
• Nikkaji Number: J13.045A
• Wikidata: Q27261968
• Mol file: 2026-19-9.mol

Synonyms:Fragilin;2-Chlorophyscion;2026-19-9;UNII-5FI0O7S06V;5FI0O7S06V;2-Chloro-1,8-dihydroxy-3-methoxy-6-methylanthraquinone;2-chloro-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione;9,10-Anthracenedione, 2-chloro-1,8-dihydroxy-3-methoxy-6-methyl-;SCHEMBL23199021;CHEBI:144155;Q27261968

Chemical Property of Fragilin

Chemical Property:

• PSA: 83.83000
• LogP: 2.84360
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 318.0295011
• Heavy Atom Count: 22
• Complexity: 481

Purity/Quality:

99% ^*data from raw 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(C(=C(C=C3C2=O)OC)Cl)O

Technology Process of Fragilin

There total 3 articles about Fragilin 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:

physcion (521-61-9) → fragilin (2026-19-9) + 4-chlorophyscion (25672-77-9)

Guidance literature:

With tetraethylammonium chloride; In acetic acid; regioselective reaction; Electrochemical reaction;

DOI:10.1002/hlca.201100011

Reference yield:

physcion (521-61-9) → 2,4-dichlorophyscion (1332889-19-6) + fragilin (2026-19-9) + 4-chlorophyscion (25672-77-9) + 4,5-dichlorophyscion (25672-66-6) + 2,4,5-trichlorophyscion (25672-68-8)

Guidance literature:

With tetraethylammonium chloride; In dichloromethane; regioselective reaction; Electrochemical reaction;

DOI:10.1002/hlca.201100011

Reference yield:

→ fragilin (2026-19-9)

Guidance literature:

Ether-Extrakte v. Sphaerophorus globusus vain. (?) u. Sphaerophorus fragilis Pers., Extraktion m. NaHCO3-, Na2CO3- u. NaOH-Lsg.;

upstream raw materials:

physcion