2-Phenethylisoquinolinium bromide

Base Information

• Chemical Name: 2-Phenethylisoquinolinium bromide
• CAS No.: 10249-13-5
• Molecular Formula: C17H16 N . Br
• Molecular Weight: 314.225
• Hs Code.: 2933499090
• European Community (EC) Number: 233-587-9
• NSC Number: 35644
• DSSTox Substance ID: DTXSID50884458
• Mol file: 10249-13-5.mol

Synonyms:2-Phenethylisoquinolinium bromide;10249-13-5;2-(2-phenylethyl)isoquinolinium bromide;Isoquinolinium, 2-(2-phenylethyl)-, bromide;2-phenethylisoquinolin-2-ium bromide;EINECS 233-587-9;Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1);NSC 35644;Isoquinolinium, 2-phenethyl-, bromide;2-(2-phenylethyl)isoquinolin-2-ium;bromide;C17H16N.Br;C17-H16-N.Br;C12H11O4P.2H2O;DTXSID50884458;NSC35644;NSC-35644;AKOS024334583;C12-H11-O4-P.2H2-O

Chemical Property of 2-Phenethylisoquinolinium bromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 3.88000
• Density: g/cm³
• LogP: 0.37400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 313.04661
• Heavy Atom Count: 19
• Complexity: 244

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)CC[N+]2=CC3=CC=CC=C3C=C2.[Br-]

Technology Process of 2-Phenethylisoquinolinium bromide

There total 2 articles about 2-Phenethylisoquinolinium 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:

isoquinoline (119-65-3) + 1-phenyl-2-bromoethane (103-63-9) → 2-phenethylisoquinolin-2-ium bromide (10249-13-5)

Guidance literature:

DOI:10.1021/ja01209a048 DOI:10.1016/S0040-4020(01)99032-5

Reference yield:

2-(2-oxoethyl)benzaldehyde (25705-34-4) + phenethylamine (64-04-0) → 2-phenethylisoquinolin-2-ium bromide (10249-13-5)

Guidance literature:

With hydrogen bromide; acetic acid;

DOI:10.1039/jr9550002675

Reference yield: 81.0%

2-phenethylisoquinolin-2-ium bromide (10249-13-5) → 2-(2-Phenylethyl)-isocarbostyril (10165-99-8)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In acetonitrile; at 20 ℃; for 10h; Irradiation;

DOI:10.1039/d1ra01226f

upstream raw materials:

isoquinoline

1-phenyl-2-bromoethane

2-(2-oxoethyl)benzaldehyde

phenethylamine

Downstream raw materials:

2-(2-Phenylethyl)-isocarbostyril

1-chloro-2-phenethyl-isoquinolinium; iodide

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