4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone

Base Information

• Chemical Name: 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone
• CAS No.: 141945-52-0
• Molecular Formula: C₁₇H₁₅N₃O₃
• Molecular Weight: 309.324
• DSSTox Substance ID: DTXSID60383028
• Wikidata: Q82174575
• ChEMBL ID: CHEMBL1484107
• Mol file: 141945-52-0.mol

Synonyms:4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone;CDS1_004464;CBMicro_030128;ChemDiv1_020702;Cambridge id 5713160;Oprea1_762217;MLS000570480;DivK1c_005504;CHEMBL1484107;HMS645M22;DTXSID60383028;HMS2153K16;HMS3319I02;141945-52-0;SMR000186906;BIM-0030199.P001;SR-01000217907;4-Benzylamino-1-methyl-3-nitro-1H-quinolin-2-one;SR-01000217907-1;4-(Benzylamino)-1-methyl-3-nitroquinolin-2(1H)-one

Chemical Property of 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone

Chemical Property:

• Vapor Pressure: 4.68E-08mmHg at 25°C
• Boiling Point: 443.3°C at 760 mmHg
• Flash Point: 221.9°C
• Density: 1.35g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 309.11134135
• Heavy Atom Count: 23
• Complexity: 506

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC3=CC=CC=C3

Technology Process of 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone

There total 3 articles about 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone 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: 94.0%

4-chloro-1-methyl-3-nitro-2-(1H)quinolinone (79966-13-5) + benzylamine (100-46-9) → 4-benzylamino-1-methyl-3-nitro-2(1H)-quinolone (141945-52-0)

Guidance literature:

In various solvent(s); Ambient temperature;

Reference yield:

4-hydroxy-1-methyl-2(1H)-quinolone (1677-46-9) → 4-benzylamino-1-methyl-3-nitro-2(1H)-quinolone (141945-52-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / conc. HNO₃, NaNO₂ / acetic acid / 0.5 h

2: 92 percent / triethylamine, phosphoryl chloride / 1 h / Heating

3: 94 percent / various solvent(s) / Ambient temperature

With nitric acid; triethylamine; sodium nitrite; trichlorophosphate; In acetic acid;

Reference yield:

4-hydroxy-1-methyl-3-nitro-2-(1H)quinolinone (36949-55-0) → 4-benzylamino-1-methyl-3-nitro-2(1H)-quinolone (141945-52-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / triethylamine, phosphoryl chloride / 1 h / Heating

2: 94 percent / various solvent(s) / Ambient temperature

With triethylamine; trichlorophosphate; In various solvent(s);

upstream raw materials:

4-chloro-1-methyl-3-nitro-2-(1H)quinolinone

benzylamine

4-hydroxy-1-methyl-2(1H)-quinolone

4-hydroxy-1-methyl-3-nitro-2-(1H)quinolinone