1-Butylpyridinium Chloride

Base Information

• Chemical Name: 1-Butylpyridinium Chloride
• CAS No.: 1124-64-7
• Molecular Formula: C9H14ClN
• Molecular Weight: 171.67
• Hs Code.: 29333990
• European Community (EC) Number: 620-019-3
• UNII: F8M63J351A
• DSSTox Substance ID: DTXSID1031462
• Wikidata: Q27894264
• ChEMBL ID: CHEMBL3188155
• Mol file: 1124-64-7.mol

Synonyms:BPPF6 cpd;n-butylpyridinium;n-butylpyridinium chloride;n-butylpyridinium hexafluorophosphate

Chemical Property of 1-Butylpyridinium Chloride

Chemical Property:

• Appearance/Colour: White to off-white crystals
• Vapor Pressure: 0.000022 hPa (20 °C)
• Melting Point: 162 °C
• PSA: 3.88000
• LogP: -1.22180
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 171.0814771
• Heavy Atom Count: 11
• Complexity: 74.8

Purity/Quality:

99% ^*data from raw suppliers

1-Butylpyridin-1-iumChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36/38
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+]1=CC=CC=C1.[Cl-]
• Uses: The derivatives of 1-n-Butylpyridinium chloride is used in spent fuel reprocessing, particularly in the extraction of high-level radioactive aqueous waste from the processing of nuclear fuel. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.

Technology Process of 1-Butylpyridinium Chloride

There total 7 articles about 1-Butylpyridinium Chloride 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: 92.0%

pyridine (110-86-1) + n-Butyl chloride (109-69-3) → n-butylpyridinium chloride (1124-64-7)

Guidance literature:

at 70 ℃; for 24h; Darkness;

DOI:10.1039/c5ra02102b DOI:10.1039/c8ra06506c

Reference yield: 83.0%

1-(2,4-dinitrophenyl)-pyridinium chloride (4185-69-7) + N-butylamine (109-73-9,85404-21-3) → n-butylpyridinium chloride (1124-64-7)

Guidance literature:

In ethanol; water; at 35 ℃; for 1.33333h; Sonication; Inert atmosphere;

DOI:10.1016/j.ultsonch.2009.12.019

Reference yield: 63.0%

→ n-butylpyridinium chloride (1124-64-7)

Guidance literature:

upstream raw materials:

pyridine

n-Butyl chloride

chlorosulfurous acid butyl ester

diethyl ether

Downstream raw materials:

N-butylpyridinium chloroaluminate

Refernces

• 1、 Earle, Martyn J.,Gordon, Charles M.,Plechkova, Natalia V.,Seddon, Kenneth R.,Welton, Thomas. "Decolorization of ionic liquids for spectroscopy". . p. 758 - 764. Retrieved 2007.
• 2、 Verevkin, Sergey P.,Zaitsau, Dzmitry H.,Emel'Yanenko, Vladimir N.,Ralys, Ricardas V.,Yermalayeu, Andrei V.,Schick, Christoph. "Does alkyl chain length really matter? Structure-property relationships in thermochemistry of ionic liquids". . p. 84 - 95. Retrieved 2013.
• 3、 Behar,Neta,Schultheisz, Carl. "Reaction kinetics in ionic liquids as studied by pulse radiolysis: Redox reactions in the solvents methyltributylammonium bis(trifluoromethylsulfonyl)imide and N-butylpyridinium tetrafluoroborate". . p. 3139 - 3147. Retrieved 2002.
• 4、 Tolstikova,Shainyan. "Ionic liquids on the basis of 2,3,4,6,7,8,9,10-octahydropyrimido-[1,2-a] azepine (1,8-diazabicyclo[5.4.0]undec-7-ene)". . p. 1068 - 1074. Retrieved 2006.
• 5、 Verevkin, Sergey P.,Ralys, Ricardas V.,Emel'Yanenko, Vladimir N.,Zaitsau, Dzmitry H.,Schick, Christoph. "Thermochemistry of the pyridinium- and pyrrolidinium-based ionic liquids". . p. 353 - 358. Retrieved 2013.
• 6、 Mirante, Fatima,Gomes, Neide,Corvo, Marta C.,Gago, Sandra,Balula, Salete S.. "Polyoxomolybdate based ionic-liquids as active catalysts for oxidative desulfurization of simulated diesel". . p. 762 - 770. Retrieved 2019/07/17.
• 7、 Meng, Dan,Qiao, Yongsheng,Wang, Xin,Wen, Wei,Zhao, Sanhu. "DABCO-catalyzed Knoevenagel condensation of aldehydes with ethyl cyanoacetate using hydroxy ionic liquid as a promoter". . p. 30180 - 30185. Retrieved 2018/09/11.