4H-Cyclopenta[lmn]phenanthridine 5,9-dione

Base Information

• Chemical Name: 4H-Cyclopenta[lmn]phenanthridine 5,9-dione
• CAS No.: 61479-80-9
• Molecular Formula: C₁₄H₇NO₂
• Molecular Weight: 221.215
• DSSTox Substance ID: DTXSID70485582
• Wikidata: Q82324879
• Mol file: 61479-80-9.mol

Synonyms:4H-Cyclopenta[lmn]phenanthridine 5,9-dione;61479-80-9;SCHEMBL14933619;DTXSID70485582;AKOS015961370;AB25021;AC-13636;4H-Cyclopenta[lmn]phenanthridine-5,9-dione;6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-7,15-dione

Chemical Property of 4H-Cyclopenta[lmn]phenanthridine 5,9-dione

Chemical Property:

• Melting Point: >340 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
• Boiling Point: 364.0±12.0 °C(Predicted)
• PKA: 12.28±0.20(Predicted)
• Density: 1.487±0.06 g/cm3(Predicted)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 221.047678466
• Heavy Atom Count: 17
• Complexity: 392

Purity/Quality:

98%min ^*data from raw suppliers

4H-CYCLOPENTA[LMN]PHENANTHRIDINE 5,9-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C(=O)NC4=CC=CC(=C43)C2=O

Technology Process of 4H-Cyclopenta[lmn]phenanthridine 5,9-dione

There total 4 articles about 4H-Cyclopenta[lmn]phenanthridine 5,9-dione 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: 70.0%

5-nitrofluorenone-4-carboxylic acid (54147-65-8) → 4H-cyclopentaphenanthridine-5,9-dione (61479-80-9)

Guidance literature:

With sodium disulfite; In ethanol; for 1h; Heating;

Reference yield: 50.0%

5H-phenanthridin-6-one-10-carboxylic acid (71793-58-3) → 4H-cyclopentaphenanthridine-5,9-dione (61479-80-9)

Guidance literature:

With sulfuric acid; at 150 ℃; for 0.5h;

Reference yield: 40.0%

5H-phenanthridin-6-one-1-carboxylic acid (17726-57-7) → 4H-cyclopentaphenanthridine-5,9-dione (61479-80-9)

Guidance literature:

With sulfuric acid; at 150 ℃; for 1h;

upstream raw materials:

5-nitrofluorenone-4-carboxylic acid

5H-phenanthridin-6-one-1-carboxylic acid

5H-phenanthridin-6-one-10-carboxylic acid

Downstream raw materials:

9-benzylidenehydrazono-4H-cyclopentaphenanthridin-5-one