Cholanthrene

Base Information

• Chemical Name: Cholanthrene
• CAS No.: 479-23-2
• Molecular Formula: C20H14
• Molecular Weight: 254.331
• European Community (EC) Number: 207-528-2
• UNII: 429L45KABE
• DSSTox Substance ID: DTXSID0073908
• Nikkaji Number: J6.156E
• Wikidata: Q4499005
• ChEMBL ID: CHEMBL41430
• Mol file: 479-23-2.mol

Synonyms:cholanthrene

Chemical Property of Cholanthrene

Chemical Property:

• Vapor Pressure: 1.87E-09mmHg at 25°C
• Melting Point: 173°
• Refractive Index: 1.7040 (estimate)
• Boiling Point: 495°Cat760mmHg
• Flash Point: 245.3°C
• PSA: 0.00000
• Density: 1.252g/cm³
• LogP: 5.24480
• Water Solubility.: 3.5ug/L(27 oC)
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 254.109550447
• Heavy Atom Count: 20
• Complexity: 372

Purity/Quality:

99%, ^*data from raw suppliers

CHOLANTHRENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1CC2=C3C1=CC=CC3=CC4=C2C=CC5=CC=CC=C54

Technology Process of Cholanthrene

There total 17 articles about Cholanthrene 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: 80.0%

6-acetoxycholanthrene (105943-99-5) → cholanthrene (479-23-2)

Guidance literature:

With hydrogen iodide; hypophosphorous acid; acetic acid; for 0.025h; Heating;

DOI:10.1021/jo00378a025

Reference yield:

→ cholanthrene (479-23-2)

Guidance literature:

With copper (II) carbonate hydroxide; at 300 ℃; Erhitzen unter vermindertem Druck;

DOI:10.1021/ja01863a007

Reference yield:

→ cholanthrene (479-23-2)

Guidance literature:

at 400 - 410 ℃;

DOI:10.1021/jo01222a006 DOI:10.1021/ja01846a074 DOI:10.1021/ja01314a039

upstream raw materials:

1,2,2a,3,4,5,6b,7,8,9,10,10a,11,12-tetradecahydro-benz[j]aceanthrylene

1-Oxo-1,2-dihydrobenzoaceanthrylene

indan-4-yl-[1]naphthyl ketone

2-Oxo-2,3,4,5,6,7-hexahydro-cholanthren

Downstream raw materials:

1,2,6,12b-tetrahydro-benz[j]aceanthrylene

Refernces