2-Benzylisoquinolinium bromide

Base Information

• Chemical Name: 2-Benzylisoquinolinium bromide
• CAS No.: 23277-04-5
• Molecular Formula: C16H14N.Br
• Molecular Weight: 300.198
• NSC Number: 131465
• DSSTox Substance ID: DTXSID30450216
• ChEMBL ID: CHEMBL1723898
• Mol file: 23277-04-5.mol

Synonyms:23277-04-5;2-BENZYLISOQUINOLINIUM BROMIDE;2-benzylisoquinolin-2-ium bromide;2-benzylisoquinolin-2-ium;bromide;BURIMAMIDEOXALATE;MLS001178430;SCHEMBL3601825;CHEMBL1723898;DTXSID30450216;HMS2795H21;NSC131465;AKOS024341733;NSC-131465;SMR000475733;FT-0611313

Chemical Property of 2-Benzylisoquinolinium bromide

Chemical Property:

• Melting Point: 110-111.5 °C
• PSA: 3.88000
• LogP: 0.17960
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 299.03096
• Heavy Atom Count: 18
• Complexity: 232

Purity/Quality:

98%,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[N+]2=CC3=CC=CC=C3C=C2.[Br-]

Technology Process of 2-Benzylisoquinolinium bromide

There total 3 articles about 2-Benzylisoquinolinium bromide 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%

isoquinoline (119-65-3) + benzyl bromide (100-39-0) → 2-benzylisoquinolin-2-ium bromide (23277-04-5)

Guidance literature:

In methanol; for 336000h; Heating;

DOI:10.1016/S0040-4039(03)00919-5

Reference yield:

1,2,3,4-tetrahydroisoquinoline (91-21-4) → 2-benzylisoquinolin-2-ium bromide (23277-04-5)

Guidance literature:

Multi-step reaction with 2 steps

1: oxygen / N,N-dimethyl acetamide / 20 °C / Schlenk technique; Irradiation

2: acetonitrile / 100 °C / Inert atmosphere; Schlenk technique

With oxygen; In N,N-dimethyl acetamide; acetonitrile;

DOI:10.1002/chem.202100398

Reference yield:

→ 2-benzylisoquinolin-2-ium bromide (23277-04-5)

Guidance literature:

Isochinolin , entspr. Benzylbromid in Bzl.;

DOI:10.1021/jo00804a003

upstream raw materials:

isoquinoline

benzyl bromide

1,2,3,4-tetrahydroisoquinoline

Downstream raw materials:

5-((2-benzylisoquinolinium-4-yl)(p-tolyl)methyl)-2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ide

5-((2-benzylisoquinolinium-4-yl)(p-tolyl)methyl)-2,4,6-trioxohexahydropyrimidin-5-ide

5-((2-benzylisoquinolinium-4-yl)(p-tolyl)methyl)-1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-ide

1-(2',2',6',6'-tetramethyl-1'-piperidinyloxy)-tetrahydrofuran