2-Amino-3-methyl-3h-imidazo[4,5-f]isoquinoline

Base Information

• Chemical Name: 2-Amino-3-methyl-3h-imidazo[4,5-f]isoquinoline
• CAS No.: 147293-15-0
• Molecular Formula: C₁₁H₁₀N₄
• Molecular Weight: 198.227
• Hs Code.: 2933998090
• European Community (EC) Number: 815-052-7
• DSSTox Substance ID: DTXSID00163649
• Nikkaji Number: J566.151J
• Wikidata: Q83032618
• Mol file: 147293-15-0.mol

Synonyms:147293-15-0;2-amino-3-methyl-3h-imidazo[4,5-f]isoquinoline;3-methylimidazo[4,5-f]isoquinolin-2-amine;CCRIS 6829;3-METHYL-3H-IMIDAZO[4,5-F]ISOQUINOLIN-2-AMINE;3H-Imidazo(4,5-f)isoquinolin-2-amine, 3-methyl-;3-Methyl-3H-imidazo(4,5-f)isoquinolin-2-amine;2-Amino-3-methyl-3H-imidazo(4,5-f)isoquinoline;3H-Imidazo[4,5-f]isoquinolin-2-amine, 3-methyl-;3H-Imidazo[4,5-f]isoquinolin-2-amine,3-methyl-;DTXSID00163649;MFCD00468057;AKOS027384802;LS-77876;FT-0661914;J-008342

Chemical Property of 2-Amino-3-methyl-3h-imidazo[4,5-f]isoquinoline

Chemical Property:

• Appearance/Colour: Yellow to light brown solid
• Vapor Pressure: 2.94E-09mmHg at 25°C
• Melting Point: >300 °C
• Refractive Index: 1.754
• Boiling Point: 476.856 °C at 760 mmHg
• Flash Point: 242.194 °C
• PSA: 56.73000
• Density: 1.413 g/cm³
• LogP: 2.28490
• Storage Temp.: Refrigerator
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 198.090546336
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-3-methyl-3H-imidazo[4,5-f]isoquinoline ^*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)C=NC=C3)N=C1N
• Uses: 2-Amino-3-methyl-3H-imidazo[4,5-F]isoquinoline is a closely related isomer to the heterocyclic food mutagen IQ. It is useful for biological and structure-activity studies of IQ.

Technology Process of 2-Amino-3-methyl-3h-imidazo[4,5-f]isoquinoline

There total 4 articles about 2-Amino-3-methyl-3h-imidazo[4,5-f]isoquinoline 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: 42.0%

bromocyane (506-68-3) + N6-Methyl-isoquinoline-5,6-diamine → 2-amino-3-methyl-3H-imidazo<4,5-f>isoquinoline (76180-96-6,147293-15-0)

Guidance literature:

In acetonitrile;

Reference yield:

6-methoxyisoquinoline (52986-70-6) → 2-amino-3-methyl-3H-imidazo<4,5-f>isoquinoline (76180-96-6,147293-15-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 75 percent / KNO₃, H₂SO₄ / 24 h / 20 °C

2: 85 percent / H₂O

3: H₂ / Ni

4: 42 percent / acetonitrile

With sulfuric acid; hydrogen; potassium nitrate; nickel; In water; acetonitrile;

Reference yield:

6-methoxy-5-nitroisoquinoline (72677-92-0) → 2-amino-3-methyl-3H-imidazo<4,5-f>isoquinoline (76180-96-6,147293-15-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / H₂O

2: H₂ / Ni

3: 42 percent / acetonitrile

With hydrogen; nickel; In water; acetonitrile;

upstream raw materials:

bromocyane

6-methoxyisoquinoline

6-methoxy-5-nitroisoquinoline

6-(methylamino)-5-nitroisoquinoline

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