Lucanthone

Base Information

• Chemical Name: Lucanthone
• CAS No.: 479-50-5
• Molecular Formula: C20H24 N2 O S
• Molecular Weight: 340.489
• European Community (EC) Number: 207-532-4
• UNII: FC6D57000M
• DSSTox Substance ID: DTXSID6023230
• Nikkaji Number: J1.540G
• Wikipedia: Lucanthone
• Wikidata: Q6696022
• NCI Thesaurus Code: C83925
• Pharos Ligand ID: JZFA2PNJH9JF
• Metabolomics Workbench ID: 43647
• ChEMBL ID: CHEMBL279014
• Mol file: 479-50-5.mol

Synonyms:Lucanthone;Lucanthone Hydrochloride;Miracil D;Tixantone

Chemical Property of Lucanthone

Chemical Property:

• Vapor Pressure: 1.3E-10mmHg at 25°C
• Melting Point: 64.5°C
• Refractive Index: 1.638
• Boiling Point: 512.4°C at 760 mmHg
• PKA: 10.00±0.25(Predicted)
• Flash Point: 263.7°C
• PSA: 60.58000
• Density: 1.184g/cm³
• LogP: 4.54980
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 340.16093457
• Heavy Atom Count: 24
• Complexity: 426

Purity/Quality:

99% ^*data from raw suppliers

LUCANTHONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O
• Recent ClinicalTrials: Safety and Efficacy Study of Lucanthone When Used in Combination With Temozolomide(TMZ) and Radiation to Treat Glioblastoma Multiforme(GBM)

Technology Process of Lucanthone

There total 15 articles about Lucanthone 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:

1-chloro-4-methyl-9H-thioxanthen-9-one (57450-55-2) + N,N-diethylethylenediamine (100-36-7) → lucanthone (479-50-5)

Guidance literature:

With pyridine; at 180 ℃;

DOI:10.1021/ja01137a017 DOI:10.1039/jr9510002961

Reference yield:

1-amino-4-methyl-thioxanthen-9-one (54236-49-6) + 2-(Diethylamino)ethanol (100-37-8) → lucanthone (479-50-5)

Guidance literature:

With phosphorus pentoxide; at 190 ℃;

Reference yield:

5-chloro-2-methylthiophenol (18858-06-5) → lucanthone (479-50-5)

Guidance literature:

Multi-step reaction with 3 steps

1: water

2: sulfuric acid

3: pyridine / 180 °C

With pyridine; sulfuric acid; water;

DOI:10.1039/jr9510002961

upstream raw materials:

1-amino-4-methyl-thioxanthen-9-one

2-(diethylamino)ethyl chloride

2-(Diethylamino)ethanol

1-chloro-4-methyl-9H-thioxanthen-9-one