2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline

Base Information

• Chemical Name: 2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline
• CAS No.: 95896-78-9
• Molecular Formula: C₁₂H₁₃N₅
• Molecular Weight: 227.269
• Hs Code.: 2933990090
• European Community (EC) Number: 813-206-8
• UNII: YRA7G7WU6P
• DSSTox Substance ID: DTXSID90242018
• Nikkaji Number: J356.396K
• Wikidata: Q27294682
• Metabolomics Workbench ID: 45790
• Mol file: 95896-78-9.mol

Synonyms:2-amino-3,4,8-trimethylimidazo(4,5-f)quinoxaline;3,4,8-MeIQX;3,4,8-trimethylimidazo(4,5-f)quinoxalin-2-amine;4,8-DiMeIQx

Chemical Property of 2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline

Chemical Property:

• Appearance/Colour: Yellow Solid
• Vapor Pressure: 6.77E-09mmHg at 25°C
• Melting Point: >300°C
• Boiling Point: 467 °C at 760 mmHg
• PKA: 2.56±0.50(Predicted)
• Flash Point: 236.2 °C
• PSA: 69.62000
• Density: 1.42 g/cm³
• LogP: 2.29670
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 227.11709544
• Heavy Atom Count: 17
• Complexity: 297

Purity/Quality:

98%Min ^*data from raw suppliers

2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=NC=C(N=C2C3=C1N(C(=N3)N)C)C

Technology Process of 2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline

There total 10 articles about 2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]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: 82.0%

2-(N-benzylamino)-3,4,8-trimethylimidazo<4,5-f>quinoxaline (138336-31-9) → 2-amino-3,4,8-trimethylimidazo-[4,5-f]quinoxaline (95896-78-9)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 168h; Heating;

DOI:10.1021/jo00031a017

Reference yield:

2-(methylthio)-3,4,8-trimethylimidazo<4,5-f>quinoxaline (138336-18-2) → 2-amino-3,4,8-trimethylimidazo-[4,5-f]quinoxaline (95896-78-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 67 percent / aq. KMnO₄, glacial acetic acid / 1 h / Ambient temperature

2: 94 percent / 168 h / 140 - 150 °C

3: 82 percent / ammonium formate / 10percent Pd/C / methanol / 168 h / Heating

With potassium permanganate; ammonium formate; acetic acid; palladium on activated charcoal; In methanol;

DOI:10.1021/jo00031a017

Reference yield:

2-(methylsulfonyl)-3,4,8-trimethylimidazo<4,5-f>quinoxaline (138336-25-1) → 2-amino-3,4,8-trimethylimidazo-[4,5-f]quinoxaline (95896-78-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / 168 h / 140 - 150 °C

2: 82 percent / ammonium formate / 10percent Pd/C / methanol / 168 h / Heating

With ammonium formate; palladium on activated charcoal; In methanol;

DOI:10.1021/jo00031a017

upstream raw materials:

bromocyane

2,6-dimethyl-7-methylamino-8-nitroquinoxaline

2-(N-benzylamino)-3,4,8-trimethylimidazo<4,5-f>quinoxaline

5-nitro-2-fluorotoluene

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