2-Hydroxyamino-3-methylimidazolo(4,5-f)quinoline

Base Information

• Chemical Name: 2-Hydroxyamino-3-methylimidazolo(4,5-f)quinoline
• CAS No.: 77314-23-9
• Molecular Formula: C₁₁H₁₀N₄O
• Molecular Weight: 214.227
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20228062
• Nikkaji Number: J86.787J
• Wikidata: Q83107973
• Mol file: 77314-23-9.mol

Synonyms:2-hydroxyamino-3-methylimidazo(4,5-f)quinoline;2-hydroxyamino-3-methylimidazolo(4,5-f)quinoline;N-hydroxy-IQ

Chemical Property of 2-Hydroxyamino-3-methylimidazolo(4,5-f)quinoline

Chemical Property:

• Vapor Pressure: 1.99E-10mmHg at 25°C
• Melting Point: >200°C dec.
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 490.3°C at 760 mmHg
• PKA: 11.20±0.20(Predicted)
• Flash Point: 250.3°C
• PSA: 62.97000
• Density: 1.47g/cm³
• LogP: 1.99560
• Storage Temp.: Amber Vial, -20?C Freezer, Under Inert Atmosphere
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 214.08546096
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

98%Min ^*data from raw suppliers

2-Hydroxyamino-3-methyl-3H-imidazo[4,5-f]quinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1NO
• Uses: 2-Hydroxy derivative of the mutagenic heterocyclic amine, IQ

Technology Process of 2-Hydroxyamino-3-methylimidazolo(4,5-f)quinoline

There total 2 articles about 2-Hydroxyamino-3-methylimidazolo(4,5-f)quinoline 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:

2-nitro-3-methylimidazolo<4,5-f>quinoline (114451-08-0) → N-Hydroxy-2-amino-3-methylimidazo[4,5-f]quinoline (77314-23-9)

Guidance literature:

With aluminium amalgam; In tetrahydrofuran; at 0 ℃; for 0.166667h; Yield given;

DOI:10.1248/cpb.29.590

Reference yield:

3-Methyl-3H-imidazo[4,5-f]quinolin-2-ylamine; hydrobromide (83407-39-0) → N-Hydroxy-2-amino-3-methylimidazo[4,5-f]quinoline (77314-23-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent / NaNO₂, CuSO₄*5H₂O / aq. HCl / 24 h / Ambient temperature

2: aluminum amalgamate / tetrahydrofuran / 0.17 h / 0 °C

With aluminium amalgam; copper(II) sulfate; sodium nitrite; In tetrahydrofuran; hydrogenchloride;

DOI:10.1248/cpb.29.590

Reference yield:

nitrobenzene (98-95-3,26969-40-4) + N-Hydroxy-2-amino-3-methylimidazo[4,5-f]quinoline (77314-23-9) → 2-phenyl-ONN-azoxy-3-methylimidazolo<4,5-f>quinoline

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1248/cpb.29.590

upstream raw materials:

2-nitro-3-methylimidazolo<4,5-f>quinoline

3-Methyl-3H-imidazo[4,5-f]quinolin-2-ylamine; hydrobromide

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