6-Nitroquipazine

Base Information

• Chemical Name: 6-Nitroquipazine
• CAS No.: 77372-73-7
• Molecular Formula: C13H14 N4 O2
• Molecular Weight: 258.28
• Hs Code.: 2933990090
• UNII: 28M0X094BH
• DSSTox Substance ID: DTXSID7044001
• Nikkaji Number: J1.680.757E
• Wikipedia: 6-Nitroquipazine
• Wikidata: Q4641548
• Pharos Ligand ID: 874C4K5JNSCP
• ChEMBL ID: CHEMBL41140
• Mol file: 77372-73-7.mol

Synonyms:6-nitro,2-(1-piperazinyl)quinoline;6-nitro-2-piperazin-1-yl-quinoline;6-nitroquipazine;DU 24565;DU-24565;DU24565

Chemical Property of 6-Nitroquipazine

Chemical Property:

• Vapor Pressure: 1.55E-09mmHg at 25°C
• Boiling Point: 484.4°C at 760 mmHg
• Flash Point: 246.7°C
• PSA: 73.98000
• LogP: 2.46960
• Storage Temp.: 2-8°C
• Solubility.: 0.1 M HCl: soluble16mg/mL
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 258.11167570
• Heavy Atom Count: 19
• Complexity: 327

Purity/Quality:

98%min ^*data from raw suppliers

6-Nitroquipazine maleate salt solid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)[N+](=O)[O-]

Technology Process of 6-Nitroquipazine

There total 4 articles about 6-Nitroquipazine 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:

3,4-dihydro-2(1H)-quinolone (553-03-7) → 6-nitroquipazine (77372-73-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / H₂SO₄, HNO₃ / H₂O / 3 h / -10 °C

2: 96 percent / DDQ, POCl₃ / benzene / 3 h / 90 °C

3: 2.) H₂SO₄ / 1.) DMF, 110 deg C, 2 h, 2.) water, DMF, 90 deg C, 3 h

With sulfuric acid; nitric acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; trichlorophosphate; In water; benzene;

DOI:10.3987/com-98-8303

Reference yield:

6-nitro-3,4-dihydro-1H-quinolin-2-one (22246-16-8) → 6-nitroquipazine (77372-73-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / DDQ, POCl₃ / benzene / 3 h / 90 °C

2: 2.) H₂SO₄ / 1.) DMF, 110 deg C, 2 h, 2.) water, DMF, 90 deg C, 3 h

With sulfuric acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; trichlorophosphate; In benzene;

DOI:10.3987/com-98-8303

Reference yield:

piperazine-1-carbaldehyde (7755-92-2) + 2-chloro-6-nitroquinoline (29969-57-1) → 6-nitroquipazine (77372-73-7)

Guidance literature:

With sulfuric acid; Yield given; Multistep reaction; 1.) DMF, 110 deg C, 2 h, 2.) water, DMF, 90 deg C, 3 h;

DOI:10.3987/com-98-8303

upstream raw materials:

piperazine-1-carbaldehyde

2-chloro-6-nitroquinoline

3,4-dihydro-2(1H)-quinolone

6-nitro-3,4-dihydro-1H-quinolin-2-one