2-Benzoylisoquinolin-2-ium chloride

Base Information

• Chemical Name: 2-Benzoylisoquinolin-2-ium chloride
• CAS No.: 61206-56-2
• Molecular Formula: C16H12 N O . Cl
• Molecular Weight: 269.73
• DSSTox Substance ID: DTXSID00514753
• NSC Number: 201637
• Mol file: 61206-56-2.mol

Synonyms:61206-56-2;2-Benzoylisoquinolin-2-ium chloride;N-benzoylisoquinolinium chloride;DTXSID00514753;NSC201637;NSC-201637

Chemical Property of 2-Benzoylisoquinolin-2-ium chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 269.0607417
• Heavy Atom Count: 19
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

Technology Process of 2-Benzoylisoquinolin-2-ium chloride

There total 1 articles about 2-Benzoylisoquinolin-2-ium chloride 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:

isoquinoline (119-65-3) + benzoyl chloride (98-88-4) → N-benzoylisoquinolinium chloride (61206-56-2)

Guidance literature:

In dichloromethane;

Reference yield: 43.0%

trimethylsilyl trifluoromethanesulfonate (27607-77-8) + N-benzoylisoquinolinium chloride (61206-56-2) → isoquinolinium trifluoromethanesulfonate (138528-83-3) + N-benzoylisoquinolinium triflate (138528-82-2)

Guidance literature:

In dichloromethane; for 24h;

Reference yield:

N-benzoylisoquinolinium chloride (61206-56-2) → benzoic acid (65-85-0,8013-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 43 percent / CH₂Cl₂ / 24 h

2: 87 percent / sodium hydroxide / H₂O / 24 h

With sodium hydroxide; In dichloromethane; water;

upstream raw materials:

isoquinoline

benzoyl chloride

Downstream raw materials:

isoquinolinium trifluoromethanesulfonate

N-benzoylisoquinolinium triflate

N-methylquinoline hydrochloride

[1-(1H-indol-3-yl)isoquinolin-2(1H)-yl](phenyl)methanone