Dipyrido(1,2-a:3',2'-d)imidazole, 6-methyl-2-nitro-

Base Information

• Chemical Name: Dipyrido(1,2-a:3',2'-d)imidazole, 6-methyl-2-nitro-
• CAS No.: 83692-82-4
• Molecular Formula: C11H8 N4 O2
• Molecular Weight: 228.21
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00232526
• Nikkaji Number: J76.255E
• Wikidata: Q83113591
• Mol file: 83692-82-4.mol

Synonyms:Nitro-glu-P-1;83692-82-4;Dipyrido(1,2-a:3',2'-d)imidazole, 6-methyl-2-nitro-;2-Nitro-6-methyldipyrido[1,2-a:3',2'-d]imidazole;6-methyl-2-nitroimidazo[1,2-a:5,4-b']dipyridine;2-Nitro-6-methyldipyrido(1,2-a:3',2'-d)imidazole;6-Methyl-2-nitrodipyrido(1,2-a:3',2'-d)imidazole;10-methyl-4-nitro-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene;6-Methyl-2-nitrodipyrido[1,2-a:3',2'-d]imidazole;starbld0001391;DTXSID00232526;FT-0672803

Chemical Property of Dipyrido(1,2-a:3',2'-d)imidazole, 6-methyl-2-nitro-

Chemical Property:

• PSA: 76.01000
• Density: 1.53g/cm3
• LogP: 2.62230
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 228.06472551
• Heavy Atom Count: 17
• Complexity: 319

Purity/Quality:

97% ^*data from raw suppliers

2-Nitro-6-methyldipyrido[1,2-a:3'',2''-d]imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CN2C1=NC3=C2N=C(C=C3)[N+](=O)[O-]
• Uses: A highly mutagenic metabolite of 2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole (A616100). A highly mutagenic metabolite of 2-Amino-6-methyldipyrido[1,2-a:3'',2''-d]imidazole (A616100).

Technology Process of Dipyrido(1,2-a:3',2'-d)imidazole, 6-methyl-2-nitro-

There total 1 articles about Dipyrido(1,2-a:3',2'-d)imidazole, 6-methyl-2-nitro- 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: 73.0%

2-amino-6-methyl-dipyrido[1,2-a:3',2'-d]imidazole (67730-11-4) → 2-nitro-6-methyldipyridi<1,2-a:3',2'-d>imidazole (83692-82-4)

Guidance literature:

With hexacarbonyl molybdenum; dihydrogen peroxide; trifluoroacetic anhydride; In dichloromethane; trifluoroacetic acid; 0 deg C -> room temperature;

DOI:10.1021/ja00390a040

Reference yield:

2-nitro-6-methyldipyridi<1,2-a:3',2'-d>imidazole (83692-82-4) → 2-phenyl(N,N,O)azoxy-6-methyldipyridi<1,2-a:3',2'-d>imidazole (83692-83-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Al-Hg, H₂O / tetrahydrofuran

2: 74 percent / acetic acid / 2 h / Ambient temperature

With aluminium amalgam; water; In tetrahydrofuran; acetic acid;

DOI:10.1021/ja00390a040

upstream raw materials:

2-amino-6-methyl-dipyrido[1,2-a:3',2'-d]imidazole

Downstream raw materials:

2-phenyl(N,N,O)azoxy-6-methyldipyridi<1,2-a:3',2'-d>imidazole

Refernces