2-(3-Chlorophenyl)imidazo(2,1-a)isoquinoline

Base Information

• Chemical Name: 2-(3-Chlorophenyl)imidazo(2,1-a)isoquinoline
• CAS No.: 61001-11-4
• Molecular Formula: C17H11ClN2
• Molecular Weight: 278.75
• UNII: KD9BME2W8N
• Nikkaji Number: J61.449A

Synonyms:KD9BME2W8N;2-(3-Chlorophenyl)imidazo(2,1-a)isoquinoline;UNII-KD9BME2W8N;61001-11-4;Imidazo(2,1-a)isoquinoline, 2-(3-chlorophenyl)-;NIOSH/NI3013000;NI30130000;2-(m-Chlorophenyl)imidazo(2,1-a)isoquinoline;Imidazo(2,1-a)isoquinoline, 2-(m-chlorophenyl)-

Chemical Property of 2-(3-Chlorophenyl)imidazo(2,1-a)isoquinoline

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 278.0610761
• Heavy Atom Count: 20
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A reproductive hazard.
• Hazard Codes: A reproductive hazard.

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CN3C2=NC(=C3)C4=CC(=CC=C4)Cl

Technology Process of 2-(3-Chlorophenyl)imidazo(2,1-a)isoquinoline

There total 5 articles about 2-(3-Chlorophenyl)imidazo(2,1-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: 66.0%

isoquinoline (119-65-3) + 1-(1-azidovinyl)-3-chlorobenzene → 2-(3-chlorophenyl)imidazo[2,1-a]isoquinoline (61001-11-4)

Guidance literature:

With copper(l) iodide; In acetonitrile; at 65 ℃; for 24h; regioselective reaction; Molecular sieve; Sealed tube;

DOI:10.1021/jo5021618

Reference yield: 56.0%

isoquinolin-1-ylamine (1532-84-9) + 2-bromo-1-(3-chloro-phenyl)-ethanone (41011-01-2) → 2-(3-chlorophenyl)imidazo[2,1-a]isoquinoline (61001-11-4)

Guidance literature:

1.) 15 min., room temp., CHCl₃, 2.) 15 min., heating on a steam bath;

Reference yield:

2-[2-(3-Chloro-phenyl)-2-oxo-ethyl]-isoquinolinium; bromide (87773-15-7) → 2-(3-chlorophenyl)imidazo[2,1-a]isoquinoline (61001-11-4)

Guidance literature:

With ammonium acetate; iron(III) chloride; In acetic acid; at 150 ℃; for 6h;

upstream raw materials:

isoquinolin-1-ylamine

2-bromo-1-(3-chloro-phenyl)-ethanone

2-[2-(3-Chloro-phenyl)-2-oxo-ethyl]-isoquinolinium; bromide

3-chloro-α,β-dibromoethylbenzene

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