2-Methyl-3-(4-nitrophenyl)quinoxaline

Base Information

• Chemical Name: 2-Methyl-3-(4-nitrophenyl)quinoxaline
• CAS No.: 6158-99-2
• Molecular Formula: C15H11N3O2
• Molecular Weight: 265.271
• NSC Number: 66438
• DSSTox Substance ID: DTXSID40290084
• Nikkaji Number: J3.156.537E
• Wikidata: Q82027671
• ChEMBL ID: CHEMBL2142905
• Mol file: 6158-99-2.mol

Synonyms:2-methyl-3-(4-nitrophenyl)quinoxaline;6158-99-2;MLS002693569;NSC66438;CBMicro_004966;Cambridge id 5110272;CHEMBL2142905;DTXSID40290084;HMS3085F06;SMSF0003364;NSC-66438;CB06986;SMR001559519;BIM-0004899.P001;SR-01000195673;SR-01000195673-1

Chemical Property of 2-Methyl-3-(4-nitrophenyl)quinoxaline

Chemical Property:

• Vapor Pressure: 8.27E-07mmHg at 25°C
• Boiling Point: 417.9°Cat760mmHg
• Flash Point: 206.6°C
• Density: 1.304g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 265.085126602
• Heavy Atom Count: 20
• Complexity: 350

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2N=C1C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 2-Methyl-3-(4-nitrophenyl)quinoxaline

There total 4 articles about 2-Methyl-3-(4-nitrophenyl)quinoxaline 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: 83.0%

1-(4-nitrophenyl)propan-2-one (5332-96-7) + 1,2-diamino-benzene (95-54-5) → 2-methyl-3-(4-nitrophenyl)quinoxaline (6158-99-2)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; at 90 ℃; for 6h;

DOI:10.1055/s-0030-1258375

Reference yield: 71.0%

1-(p-nitrophenyl)-2-nitro-1-propene (4231-16-7) + 1,2-diamino-benzene (95-54-5) → 2-methyl-3-(4-nitrophenyl)quinoxaline (6158-99-2)

Guidance literature:

With silica gel; In tetrahydrofuran; at 50 ℃; for 5h; chemoselective reaction;

DOI:10.1016/j.tetlet.2014.08.022

Reference yield: 34.0%

Nitroethane (79-24-3) + 4-nitrobenzaldehdye (555-16-8) + 1,2-diamino-benzene (95-54-5) → 2-methyl-3-(4-nitrophenyl)quinoxaline (6158-99-2)

Guidance literature:

With silica gel; In tetrahydrofuran; at 100 ℃; for 24h; chemoselective reaction;

DOI:10.1016/j.tetlet.2014.08.022

upstream raw materials:

1-<(4-nitro)-phenyl>-1,2-propandione

1,2-diamino-benzene

1-(4-nitrophenyl)propan-2-one

1-(p-nitrophenyl)-2-nitro-1-propene