Imidazo[5,1-a]isoquinoline

Base Information

• Chemical Name: Imidazo[5,1-a]isoquinoline
• CAS No.: 234-61-7
• Molecular Formula: C₁₁H₈N₂
• Molecular Weight: 168.198
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL4437180
• DSSTox Substance ID: DTXSID40482063
• Nikkaji Number: J398.823F
• Mol file: 234-61-7.mol

Synonyms:Imidazo[5,1-a]isoquinoline;234-61-7;CHEMBL4437180;SCHEMBL1502341;DTXSID40482063;BDBM50516658;AKOS006372978

Chemical Property of Imidazo[5,1-a]isoquinoline

Chemical Property:

• Melting Point: 116 °C(Solv: cyclohexane (110-82-7))
• PSA: 17.30000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: 2.48750
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.068748264
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

Imidazo[5,1-a]isoquinoline 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CN3C2=CN=C3

Technology Process of Imidazo[5,1-a]isoquinoline

There total 5 articles about Imidazo[5,1-a]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: 100.0%

2-formamidomethylisoquinoline (58021-71-9) → Imidazo<5,1-a>isochinolin (234-61-7)

Guidance literature:

With triethylamine; trichlorophosphate;

DOI:10.1021/jo00007a028

Reference yield: 44.0%

isoquinoline (119-65-3) + dilithio-tosylmethyl isocyanide → Imidazo<5,1-a>isochinolin (234-61-7)

Guidance literature:

With lithium bromide; at -70 - 0 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)78757-0

Reference yield: 32.0%

chloroform (67-66-3,8013-54-5) + 1-(Aminomethyl)isoquinoline dihydrochloride (19382-38-8,1177303-46-6) → 2-formamidomethylisoquinoline (58021-71-9) + Imidazo<5,1-a>isochinolin (234-61-7)

Guidance literature:

With sodium hydroxide; tetra-n-propylammonium bromide; In 1,2-dimethoxyethane; at 50 ℃; for 3.25h;

DOI:10.1021/jo00007a028

upstream raw materials:

isoquinoline

chloroform

1-(Aminomethyl)isoquinoline dihydrochloride

2-formamidomethylisoquinoline