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1-Cholanthrenone

Base Information Edit
  • Chemical Name:1-Cholanthrenone
  • CAS No.:13728-49-9
  • Molecular Formula:C20H12O
  • Molecular Weight:268.315
  • Hs Code.:
  • NSC Number:172535
  • DSSTox Substance ID:DTXSID70305892
  • Wikidata:Q82052687
  • Mol file:13728-49-9.mol
1-Cholanthrenone

Synonyms:1-Cholanthrenone;13728-49-9;NSC172535;DTXSID70305892;NSC-172535

Suppliers and Price of 1-Cholanthrenone
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
Total 2 raw suppliers
Chemical Property of 1-Cholanthrenone Edit
Chemical Property:
  • Vapor Pressure:2.73E-11mmHg at 25°C 
  • Boiling Point:529.3°C at 760 mmHg 
  • Flash Point:238.7°C 
  • Density:1.344g/cm3 
  • XLogP3:5.1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Rotatable Bond Count:0
  • Exact Mass:268.088815002
  • Heavy Atom Count:21
  • Complexity:441
Purity/Quality:

99%min *data from raw suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1C2=CC=CC3=CC4=C(C=CC5=CC=CC=C54)C(=C23)C1=O
Technology Process of 1-Cholanthrenone

There total 8 articles about 1-Cholanthrenone 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:
Guidance literature:
With hydrogen fluoride; for 15h; Ambient temperature;
DOI:10.1021/jo00158a012
Guidance literature:
With sulfur; at 220 ℃;
DOI:10.1021/jo01222a006
Guidance literature:
Multi-step reaction with 4 steps
1: 83 percent / zinc dust, iodine / benzene; diethyl ether / 1.) 15 min, reflux, 2.) 2h, reflux
2: 1.) p-TsOH, 2.) 2,3-dichloro-5,6-dicyanobenzoquinone (DDQ) / 1.) benzene, reflux, 2h, 2.) reflux, 4h
3: 88 percent / aq. KOH / methanol / 1 h / Heating
4: 88 percent / anhydrous HF / 15 h / Ambient temperature
With potassium hydroxide; hydrogen fluoride; iodine; toluene-4-sulfonic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; zinc; In methanol; diethyl ether; benzene;
DOI:10.1021/jo00158a012
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