1-Allylpyridinium bromide

Base Information

• Chemical Name: 1-Allylpyridinium bromide
• CAS No.: 10129-44-9
• Molecular Formula: C8H10 N . Br
• Molecular Weight: 200.078
• Hs Code.: 2933399090
• European Community (EC) Number: 233-362-5
• NSC Number: 11454
• DSSTox Substance ID: DTXSID40884447
• Mol file: 10129-44-9.mol

Synonyms:1-Allylpyridinium bromide;10129-44-9;N-Allyl pyridinium bromide;1-(2-Propenyl)pyridinium bromide;1-prop-2-enylpyridin-1-ium;bromide;Pyridinium, 1-(2-propenyl)-, bromide;Pyridinium, 1-allyl-, bromide;EINECS 233-362-5;Pyridinium, 1-(2-propen-1-yl)-, bromide (1:1);NSC 11454;AI3-16435;Allylpyridiniumbromid;C8H10N.Br;SCHEMBL360656;C8-H10-N.Br;DTXSID40884447;NSC11454;NSC-11454;AKOS015912467

Chemical Property of 1-Allylpyridinium bromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 3.88000
• Density: g/cm³
• LogP: -1.83590
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.99966
• Heavy Atom Count: 10
• Complexity: 82.6

Purity/Quality:

98% ^*data from raw suppliers

1-(2-PROPEN-1-YL)-PYRIDINIUM BROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CC[N+]1=CC=CC=C1.[Br-]

Technology Process of 1-Allylpyridinium bromide

There total 2 articles about 1-Allylpyridinium 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: 99.0%

pyridine (110-86-1) + allyl bromide (106-95-6) → 1-(prop-2-en-1-yl)-pyridinium bromide (10129-44-9)

Guidance literature:

In acetonitrile; at 70 ℃; for 31.5h;

Reference yield:

pyridine (110-86-1) + 4-methyl-1-(2-propenyl)pyridinium bromide (10129-54-1) → picoline (108-89-4) + 1-(prop-2-en-1-yl)-pyridinium bromide (10129-44-9)

Guidance literature:

In [D₃]acetonitrile; at 150 ℃; for 1h; Equilibrium constant; Microwave irradiation;

DOI:10.1002/asia.201500604

Reference yield:

1-(prop-2-en-1-yl)-pyridinium bromide (10129-44-9) + butan-1-ol (71-36-3) → allyl n-butyl ether (3739-64-8)

Guidance literature:

at 160 ℃;

upstream raw materials:

pyridine

allyl bromide

4-methyl-1-(2-propenyl)pyridinium bromide

Downstream raw materials:

allyl propyl ether

allyl n-butyl ether

N-benzylpyridinium bromide

4-methyl-1-(2-propenyl)pyridinium bromide

Refernces

• 1、 Lall, Sharon,Behaj, Valbona,Mancheno, Danny,Casiano, Robert,Thomas, Marie,Rikin, Amir,Gaillard, Jennifer,Raju, Ravinder,Scumpia, Alexander,Castro, Steve,Engel, Robert,Cohen, JaimeLee Iolani. "Polycations-12. The synthesis of liquid ionic phosphates (lips) from mono- and polycationic ammonium halides". . p. 1530 - 1540. Retrieved 2002.
• 2、 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.
• 3、 Alamdari, Reza Fareghi,Zamani, Faezeh Ghorbani,Shekarriz, Marzieh. "Synthesis and thermal characterization of mono and dicationic imidazolium pyridinium based ionic liquids". . p. 1127 - 1132. Retrieved 2015/10/28.