6,11-Dihydro-6,11-dioxo-N-phenylbenzo(f)pyrido(1,2-a)indole-12-carboxamide

Base Information

• Chemical Name: 6,11-Dihydro-6,11-dioxo-N-phenylbenzo(f)pyrido(1,2-a)indole-12-carboxamide
• CAS No.: 3135-54-4
• Molecular Formula: C23H14 N2 O3
• Molecular Weight: 366.376
• Hs Code.: 2933990090
• European Community (EC) Number: 221-533-7
• DSSTox Substance ID: DTXSID50185275
• Nikkaji Number: J217.291G
• Wikidata: Q83056285
• Mol file: 3135-54-4.mol

Synonyms:EINECS 221-533-7;3135-54-4;6,11-Dihydro-6,11-dioxo-N-phenylbenzo(f)pyrido(1,2-a)indole-12-carboxamide;6,11-Dihydro-6,11-dioxo-N-phenylbenzo[f]pyrido[1,2-a]indole-12-carboxamide;Oprea1_080903;Oprea1_732829;DTXSID50185275;NSC800012;NSC-800012;1-Phenylcarbamoyl-2,3-phthaloylpyrrocoline

Chemical Property of 6,11-Dihydro-6,11-dioxo-N-phenylbenzo(f)pyrido(1,2-a)indole-12-carboxamide

Chemical Property:

• Melting Point: 256-257 °C
• Boiling Point: °Cat760mmHg
• PKA: 12.69±0.70(Predicted)
• Flash Point: °C
• PSA: 71.14000
• Density: 1.36g/cm³
• LogP: 4.35100
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 366.10044231
• Heavy Atom Count: 28
• Complexity: 656

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=CC=CC=C5C4=O

Technology Process of 6,11-Dihydro-6,11-dioxo-N-phenylbenzo(f)pyrido(1,2-a)indole-12-carboxamide

There total 7 articles about 6,11-Dihydro-6,11-dioxo-N-phenylbenzo(f)pyrido(1,2-a)indole-12-carboxamide 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:

6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylic acid (109964-49-0) → 6,11-dioxo-6,11-dihydro-benzo[f]pyrido[1,2-a]indole-12-carboxylic acid anilide (3135-54-4)

Guidance literature:

With thionyl chloride; Erwaermen des Saeurechlorids mit Anilin in 1,2-Dichlor-benzol;

Reference yield:

pyridine (110-86-1) → 6,11-dioxo-6,11-dihydro-benzo[f]pyrido[1,2-a]indole-12-carboxylic acid anilide (3135-54-4)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol

2: aq.-ethanolic NaOH

3: SOCl₂ / Erwaermen des Saeurechlorids mit Anilin in 1,2-Dichlor-benzol

With sodium hydroxide; thionyl chloride; ethanol;

Reference yield:

2,3-Dichloro-1,4-naphthoquinone (117-80-6) → 6,11-dioxo-6,11-dihydro-benzo[f]pyrido[1,2-a]indole-12-carboxylic acid anilide (3135-54-4)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol

2: aq.-ethanolic NaOH

3: SOCl₂ / Erwaermen des Saeurechlorids mit Anilin in 1,2-Dichlor-benzol

With sodium hydroxide; thionyl chloride; ethanol;

upstream raw materials:

pyridine

2,3-Dichloro-1,4-naphthoquinone

N-phenylacetoacetamide

6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylic acid