(1E)-N-acenaphthyleno[2,1-b]quinoxalin-7-ium-7-ylethanimidate

Base Information

• Chemical Name: (1E)-N-acenaphthyleno[2,1-b]quinoxalin-7-ium-7-ylethanimidate
• CAS No.: 64178-99-0
• Molecular Formula: C₂₀H₁₃N₃O
• Molecular Weight: 311.343
• NSC Number: 320564
• DSSTox Substance ID: DTXSID40422328
• Mol file: 64178-99-0.mol

Synonyms:64178-99-0;AC1O3IBC;DTXSID40422328;NSC320564;NSC-320564

Chemical Property of (1E)-N-acenaphthyleno[2,1-b]quinoxalin-7-ium-7-ylethanimidate

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 311.105862047
• Heavy Atom Count: 24
• Complexity: 521

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=N[N+]1=C2C3=CC=CC4=C3C(=CC=C4)C2=NC5=CC=CC=C51)[O-]
• Isomeric SMILES: C/C(=N\[N+]1=C2C3=CC=CC4=C3C(=CC=C4)C2=NC5=CC=CC=C51)/[O-]

Technology Process of (1E)-N-acenaphthyleno[2,1-b]quinoxalin-7-ium-7-ylethanimidate

There total 3 articles about (1E)-N-acenaphthyleno[2,1-b]quinoxalin-7-ium-7-ylethanimidate 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:

acetic acid 2-(2-nitrophenyl)hydrazide (14674-17-0) → N-<(N-acetyl)imino>acenaphthenequinoxaline (64178-99-0)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 10percent Pd/C / dioxane / 760 Torr / Ambient temperature

2: dioxane / 75 - 95 °C

With hydrogen; palladium on activated charcoal; In 1,4-dioxane;

Reference yield:

(2-nitrophenyl)hydrazine (3034-19-3) → N-<(N-acetyl)imino>acenaphthenequinoxaline (64178-99-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent

2: H₂ / 10percent Pd/C / dioxane / 760 Torr / Ambient temperature

3: dioxane / 75 - 95 °C

With hydrogen; palladium on activated charcoal; In 1,4-dioxane;

Reference yield:

acenaphthene quinone (82-86-0) + N'-(2-aminophenyl)acetohydrazide (6299-91-8) → N-<(N-acetyl)imino>acenaphthenequinoxaline (64178-99-0)

Guidance literature:

In 1,4-dioxane; at 75 - 95 ℃; Yield given;

upstream raw materials:

acenaphthene quinone

N'-(2-aminophenyl)acetohydrazide

acetic acid 2-(2-nitrophenyl)hydrazide

(2-nitrophenyl)hydrazine

Downstream raw materials:

N-iminoacenaphthenequinoxaline