10129-44-9

Basic information

• Product Name: 1-ALLYLPYRIDINIUM BROMIDE
• Synonyms: 1-Allylpyridiniumbromide (7CI); Pyridinium, 1-(2-propenyl)-, bromide (9CI); Pyridinium,1-allyl-, bromide (8CI); N-Allylpyridinium bromide
• CAS NO: 10129-44-9
• Molecular Formula: Br*C₈H₁₀N
• Molecular Weight: 200.08
• EINECS: 233-362-5
• Product Categories: Chemical Synthesis;Ionic Liquids;Pyridinium
• Mol File: 10129-44-9.mol
• Article Data: 7

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: g/cm³
• CAS DataBase Reference: 1-ALLYLPYRIDINIUM BROMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ALLYLPYRIDINIUM BROMIDE(10129-44-9)
• EPA Substance Registry System: 1-ALLYLPYRIDINIUM BROMIDE(10129-44-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• F: 10-21
• Hazardous Substances Data: 10129-44-9(Hazardous Substances Data)

Usage

General Description

1-allylpyridinium bromide is a chemical compound that consists of a pyridinium cation with an allyl group attached and a bromide anion. It is commonly used as a chemical reagent in organic synthesis and as a precursor for the synthesis of various pyridinium-based compounds. It is also known for its antimicrobial properties and has been studied for its potential use in antimicrobial coatings and biocidal applications. Additionally, 1-allylpyridinium bromide has been investigated for its potential use in the pharmaceutical industry, particularly for its antitumor and anti-inflammatory properties. However, it is important to handle and use this chemical with caution as it can be toxic and irritant to the skin, eyes, and respiratory system if not properly handled.

InChI:InChI=1/C8H10N/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2/q+1

Upstream product

• 110-86-1 pyridine 
• 106-95-6 allyl bromide 
• 10129-54-1 4-methyl-1-(2-propenyl)pyridinium bromide 

Downstream Products

• 1471-03-0 allyl propyl ether 
• 2589-31-3 N-benzylpyridinium bromide 
• 10129-54-1 4-methyl-1-(2-propenyl)pyridinium bromide 
• 110-86-1 pyridine 
• 106-95-6 allyl bromide 
• 3739-64-8 allyl n-butyl ether 

Relevant articles and documents

Flow-Assisted Synthesis of Bicyclic Aziridines via Photochemical Transformation of Pyridinium Salts

Herein is described the development and comparison of homemade continuous-flow reactors, a fluorinated ethylene propylene tube (FEP) reactor (internal diameter of 0.4 cm) and two parallel quartz reactors containing two different internal diameters (0.4 and 0.2 cm), and their application to the photochemical transformation of 1-n-butyl- and 1-allylpyridinium bromide salts (1a and 1b, respectively) to the corresponding α-hydroxycyclopentenoaziridines (6-azabicyclo[3.1.0]hex-3-en-2-ols) 2a and 2b. Under recirculating conditions, the FEP reactor allowed the production of a greater quantity of bicyclic aziridine (3.2 g), while the quartz reactor with the same diameter furnished the best productivity results (3.7 g L-1 h-1). In addition, the FEP reactor operated efficiently under circulating conditions (1.75 L of 1a) for 4.5 days (residence time of 17.9 h), allowing the production of 2a at a rate of 2 g/day (62-93% conversion).

Spectroscopic study of reaction of propargyl bromide with pyridine

Pyridine was reacted with propargyl bromide to obtain the dibromide [C 5H5NCH=CHCH=CHCH=CHC5H5N] 2+ 2Br-. The effect of the vinyl group on its UV spectrum is qualitatively interpreted using the results of nonempirical quantum-chemical calculations (basis HF/6-31G*).

Preparation, in vitro screening and molecular modelling of mono-quaternary compounds related to the selective acetylcholinesterase inhibitor BW284c51

This paper describes preparation and in vitro evaluation of 19 compounds related to the selective experimental cholinesterase inhibitor BW284c51. The novel compounds were prepared as fragments of parent molecule BW284c51 and evaluated on the model of human recombinant acetylcholinesterase and human plasmatic butyrylcholinesterase. The IC50 values of the prepared compounds were compared to the parent molecule BW284c51. None of the compounds was superior to the parent drug, but two BW284c51 fragments showed promising hAChE inhibition in μM scale and improved selectivity. These two fragments were further subjected to the molecular modelling study and their enzyme interactions were rationalized. The structure-activity relationship of the prepared series was stated.

Nitrogen-containing ionic liquids: Biodegradation studies and utility in base-mediated reactions

Several ionic liquids (ILs) were prepared in order to study the susceptibility of various cores and substituents to biodegradability using the 'CO2 headspace' test (ISO 14593). Several of the ILs contained tertiary amine substituents and were tested as solvents and reagents for several base mediated processes including Suzuki-Miyaura, Sonogashira, Knoevenagel, and Morita-Baylis-Hilman reactions. It was found that although these ILs contain basic functionality, they do not promote base mediated reactions. Density functional theory molecular calculations confirmed that the protonation of these ILs is energetically unfavourable. Journal compilation