1-(2-Phenylethyl)pyridin-1-ium bromide

Base Information

• Chemical Name: 1-(2-Phenylethyl)pyridin-1-ium bromide
• CAS No.: 6324-18-1
• Molecular Formula: C13H14N+
• Molecular Weight: 264.165
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30564847
• NSC Number: 29109
• Mol file: 6324-18-1.mol

Synonyms:6324-18-1;1-(2-Phenylethyl)pyridin-1-ium bromide;1-(2-phenylethyl)pyridiniumbromide;1-(2-phenylethyl)pyridin-1-ium;bromide;1-Phenethylpyridin-1-ium bromide;starbld0014304;1-(2-PHENYLETHYL)PYRIDINIUM BROMIDE;1-phenethylpyridinium bromide;SCHEMBL5907737;SCHEMBL6567527;N-(Phenethyl)pyridinium Bromide;DTXSID30564847;NSC29109;NSC-29109

Chemical Property of 1-(2-Phenylethyl)pyridin-1-ium bromide

Chemical Property:

• Melting Point: 126 °C
• PSA: 3.88000
• LogP: -0.77920
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 263.03096
• Heavy Atom Count: 15
• Complexity: 143

Purity/Quality:

98%min ^*data from raw suppliers

N-(Phenethyl)pyridiniumBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC[N+]2=CC=CC=C2.[Br-]
• Uses: N-(Phenethyl)pyridinium Bromide is used as an anthelmintic agent. Also used in the preliminary evaluation of some quaternary ammonium salts as phytoxic agents.

Technology Process of 1-(2-Phenylethyl)pyridin-1-ium bromide

There total 3 articles about 1-(2-Phenylethyl)pyridin-1-ium 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: 98.0%

pyridine (110-86-1) + 1-phenyl-2-bromoethane (103-63-9) → 1-(2-phenylethyl)pyridinium bromide (6324-18-1)

Guidance literature:

In para-xylene; at 155 - 160 ℃; for 2h;

DOI:10.1016/j.tet.2011.03.045

Reference yield:

2-phenylethanol (60-12-8) → 1-(2-phenylethyl)pyridinium bromide (6324-18-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen bromide

2: nitromethane / Heating

With hydrogen bromide; In nitromethane;

DOI:10.1134/S1070363210050294

Reference yield:

→ 1-(2-phenylethyl)pyridinium bromide (6324-18-1)

Guidance literature:

DOI:10.1002/jps.2600660438

upstream raw materials:

pyridine

1-phenyl-2-bromoethane

2-phenylethanol

Downstream raw materials:

2-(1-phenethyl-1H-[4]pyridylidene)-1-phenyl-ethanone

1-phenethylpyridin-2(1H)-one

1-(2-phenylethyl)-1,2,3,6-tetrahydropyridine hydrochloride

2-chloro-1-phenethyl]-pyridinium; iodide

Refernces

• 1、 Benek, Ondrej,Musilek, Kamil,Horova, Anna,Dohnal, Vlastimil,Dolezal, Rafael,Kuca, Kamil. "Preparation, in vitro screening and molecular modelling of mono-quaternary compounds related to the selective acetylcholinesterase inhibitor BW284c51". . p. 21 - 29. Retrieved 2015/04/14.
• 2、 Wichitnithad, Wisut,O'Callaghan, James P.,Miller, Diane B.,Train, Brian C.,Callery, Patrick S.. "Time-dependent slowly-reversible inhibition of monoamine oxidase A by N-substituted 1,2,3,6-tetrahydropyridines". experimental part. p. 7482 - 7492. Retrieved 2012/02/02.