1-Dodecylpyridinium bromide

Base Information

• Chemical Name: 1-Dodecylpyridinium bromide
• CAS No.: 104-73-4
• Deprecated CAS: 101613-97-2
• Molecular Formula: C17H30BrN
• Molecular Weight: 328.336
• Hs Code.: 2933399090
• European Community (EC) Number: 203-231-7
• DSSTox Substance ID: DTXSID00883294
• ChEMBL ID: CHEMBL3338621
• Mol file: 104-73-4.mol

Synonyms:chloride of Laurosept;dodecyl pyridinium chloride;dodecylpyridinium bromide;dodecylpyridinium chloride;iodide of Laurosept;Laurosept;laurylpyridinium bromide;laurylpyridinium iodide;N-dodecylpyridinium iodide;N-n-dodecylpyridinium iodide;NDDPI;sulfate of Laurosept

Chemical Property of 1-Dodecylpyridinium bromide

Chemical Property:

• Appearance/Colour: White to brownish creamy white powder
• Melting Point: 148-149°C
• PSA: 3.88000
• LogP: 1.89900
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 327.15616
• Heavy Atom Count: 19
• Complexity: 161

Purity/Quality:

98%, ^*data from raw suppliers

1-Dodecylpyridiniumbromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-Dodecylpyridinium bromide

There total 2 articles about 1-Dodecylpyridinium 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: 86.0%

pyridine (110-86-1) + 1-dodecylbromide (143-15-7) → 1-dodecylpyridinium bromide (104-73-4)

Guidance literature:

In acetonitrile; at 80 ℃; for 12h;

DOI:10.1021/acs.orglett.9b00277

Reference yield:

→ 1-dodecylpyridinium bromide (104-73-4)

Guidance literature:

Reference yield:

1-dodecylpyridinium bromide (104-73-4) → N-dodecylpyridinium chloride (104-74-5)

Guidance literature:

With sodium chloride; ion-exchange;

DOI:10.1021/j100307a022

upstream raw materials:

pyridine

1-dodecylbromide

Downstream raw materials:

N-dodecylpyridinium chloride

Refernces

• 1、 Aupoix, Audrey,Pégot, Bruce,Vo-Thanh, Giang. "Synthesis of imidazolium and pyridinium-based ionic liquids and application of 1-alkyl-3-methylimidazolium salts as pre-catalysts for the benzoin condensation using solvent-free and microwave activation". . p. 1352 - 1356. Retrieved 2010.
• 2、 Iken, Hicham,Guillen, Frédéric,Chaumat, Hélène,Mazières, Marie-Rose,Plaquevent, Jean-Christophe,Tzedakis, Théodore. "Scalable synthesis of ionic liquids: Comparison of performances of microstructured and stirred batch reactors". . p. 3474 - 3477. Retrieved 2012.
• 3、 Park, Jaehyeon,Choi, Yeonweon,Lee, Shim Sung,Jung, Jong Hwa. "Critical Role of Achiral Guest Molecules in Planar Chirality Inversion of Alanine-Appended Pillar[5]arenes". . . Retrieved 2019.
• 4、 Wankowski, James L.,Kaul, Michael J.,Dietz, Mark L.. "Micelle formation as a factor influencing the mode(s) of metal ion partitioning into: N -alkylpyridinium-based ionic liquids (ILs): Implications for the design of IL-based extraction systems". supporting information. p. 5674 - 5682. Retrieved 2017/12/06.