3-Nitrocinnoline

Base Information

• Chemical Name: 3-Nitrocinnoline
• CAS No.: 21905-82-8
• Molecular Formula: C₈H₅N₃O₂
• Molecular Weight: 175.147
• Hs Code.: 2933990090
• Mol file: 21905-82-8.mol

Synonyms:3-Nitrocinnoline;NSC 25399

Chemical Property of 3-Nitrocinnoline

Chemical Property:

• Vapor Pressure: 2.64E-05mmHg at 25°C
• Boiling Point: 368.8°C at 760 mmHg
• Flash Point: 176.8°C
• PSA: 71.60000
• Density: 1.437g/cm³
• LogP: 2.06120

Purity/Quality:

97% ^*data from raw suppliers

3-Nitrocinnoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Nitrocinnoline

There total 4 articles about 3-Nitrocinnoline 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: 86.0%

1,4-diaza-bicyclo[2.2.2]octane (280-57-9,88935-43-7) + nitroformaldehyde o-formylphenylhydrazone (75608-81-0) → 3-nitrocinnoline (21905-82-8)

Guidance literature:

In water; at 60 ℃; for 3h;

Reference yield:

nitroformaldehyde o-formylphenylhydrazone (75608-81-0) → 3-nitrocinnoline (21905-82-8)

Guidance literature:

With tetrahydrofuran; basic anion exchanger;

DOI:10.1021/ja01541a049

Reference yield:

1-(dimethoxymethyl)-2-nitrobenzene (20627-73-0) → 3-nitrocinnoline (21905-82-8)

Guidance literature:

Multi-step reaction with 3 steps

1: Raney nickel; methanol / Hydrogenation_.Diazotieren in wss. HCl und anschliessendes Behandeln mit der Kalium-Verbindung des Nitromethans und wss.-aethanol. KOH

2: aqueous HCl

3: basic anion exchanger; THF

With tetrahydrofuran; hydrogenchloride; methanol; basic anion exchanger; nickel;

DOI:10.1021/ja01541a049

upstream raw materials:

nitroformaldehyde o-formylphenylhydrazone

1,4-diaza-bicyclo[2.2.2]octane

1-(dimethoxymethyl)-2-nitrobenzene

2-(nitromethylene-hydrazino)-benzaldehyde dimethylacetal

Downstream raw materials:

1,4-diazabiphenylene

3,4-diaminocinnoline