Benzo[j]phenanthridin-6(5h)-one

Base Information

• Chemical Name: Benzo[j]phenanthridin-6(5h)-one
• CAS No.: 2413-02-7
• Molecular Formula: C₁₇H₁₁NO
• Molecular Weight: 245.28
• NSC Number: 113037
• DSSTox Substance ID: DTXSID90296990
• Wikidata: Q82037872
• Mol file: 2413-02-7.mol

Synonyms:benzo[j]phenanthridin-6(5h)-one;2413-02-7;NSC113037;DTXSID90296990;NSC-113037

Chemical Property of Benzo[j]phenanthridin-6(5h)-one

Chemical Property:

• Vapor Pressure: 6.71E-06mmHg at 25°C
• Melting Point: 354-356 °C
• Boiling Point: 377.5±9.0 °C(Predicted)
• PKA: 13.15±0.20(Predicted)
• Density: 1.272±0.06 g/cm3(Predicted)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 245.084063974
• Heavy Atom Count: 19
• Complexity: 366

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4NC3=O

Technology Process of Benzo[j]phenanthridin-6(5h)-one

There total 11 articles about Benzo[j]phenanthridin-6(5h)-one 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: 90.0%

3-bromo-N-phenyl-2-naphthamide (87700-78-5) → benzo[j]phenanthridin-6(5H)-one (2413-02-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); potassium tert-butylate; In benzene; at 110 ℃; for 14h;

DOI:10.1021/ol301077y

Reference yield: 90.0%

3-iodo-N-phenyl-2-naphthamide → benzo[j]phenanthridin-6(5H)-one (2413-02-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); potassium tert-butylate; In benzene; at 81 ℃; for 12h;

DOI:10.15227/orgsyn.090.0164

Reference yield: 56.0%

3-phenyl-N-tosyl-2-naphthamide → benzo[j]phenanthridin-6(5H)-one (2413-02-7)

Guidance literature:

With oxygen; copper diacetate; palladium dichloride; In dimethyl sulfoxide; at 160 ℃;

DOI:10.1002/ejoc.201900067

upstream raw materials:

3-bromo-N-phenyl-2-naphthamide

carbon monoxide

2-(2-naphthyl)aniline

naphthalene-2-boronic acid