(1-Butyl)triethylammonium bromide

Base Information

• Chemical Name: (1-Butyl)triethylammonium bromide
• CAS No.: 13028-69-8
• Molecular Formula: C10H24BrN
• Molecular Weight: 238.211
• Hs Code.: 29310095
• European Community (EC) Number: 635-041-9
• DSSTox Substance ID: DTXSID50471781
• Mol file: 13028-69-8.mol

Synonyms:13028-69-8;(1-Butyl)triethylammonium bromide;butyltriethylammonium bromide;butyl(triethyl)azanium;bromide;N,N,N-Triethylbutan-1-aminium bromide;MFCD00055541;1-Butanaminium, N,N,N-triethyl-, bromide (1:1);BUTYLTRIETHYLAZANIUM BROMIDE;triethylbutyl ammonium bromide;SCHEMBL622840;triethyl-n-butylammonium bromide;DTXSID50471781;ZNFYPPCUDSCDPR-UHFFFAOYSA-M;N,N,N-Triethylbutan-1-aminiumbromide;AKOS027382269;AS-67180;CS-0337975

Chemical Property of (1-Butyl)triethylammonium bromide

Chemical Property:

• Melting Point: 212-215°C
• PSA: 0.00000
• LogP: -0.33300
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 237.10921
• Heavy Atom Count: 12
• Complexity: 76.6

Purity/Quality:

99% ^*data from raw suppliers

BUTYL TRIETHYLAMMONIUM BROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+](CC)(CC)CC.[Br-]
• Uses: (1-Butyl)triethylammonium bromide is an important organic intermediate. It can be used in agrochemical, pharmaceutical & dye stuff field.

Technology Process of (1-Butyl)triethylammonium bromide

There total 2 articles about (1-Butyl)triethylammonium 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: 94.9%

1-bromo-butane (109-65-9) + triethylamine (121-44-8) → butyltriethylammonium hydrogen sulfate (13028-69-8)

Guidance literature:

In ethanol; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1021/je300993n

Reference yield:

ethyl bromide (74-96-4) + N,N-diethylbutylamine (4444-68-2) → butyltriethylammonium hydrogen sulfate (13028-69-8)

Guidance literature:

With ethanol; at 90 - 100 ℃;

Reference yield:

ethyllithium (811-49-4) + butyltriethylammonium hydrogen sulfate (13028-69-8) → N,N-diethylbutylamine (4444-68-2) + triethylamine (121-44-8)

Guidance literature:

at -70 ℃;

upstream raw materials:

ethyl bromide

N,N-diethylbutylamine

1-bromo-butane

triethylamine

Downstream raw materials:

N,N-diethylbutylamine

triethylamine

triethyl N-butyl ammonium hydroxide

Refernces

• 1、 Wang,Dai,Hu,Xiao,Wu,Zhang,Zhou. "Novel ionic liquid analogs formed by triethylbutylammonium carboxylate-water mixtures for CO2 absorption". . p. 17 - 20. Retrieved 2012.
• 2、 Yamada, Yudai,Kashimoto, Erina,Honda, Hisashi. "New chemical family of [n-CxH(2X+1)Net3][BeT3Me] showing ionic plastic-crystal (x = 4, 5), rotator-crystal (x = 6, 7) and liquid-crystal phases (X = 816)". . p. 1289 - 1298. Retrieved 2019.
• 3、 Shen, Li-Xia,Li, Xing-Hui,Wu, Huan-Huan,Yue, Zhong-Cheng,Li, Li,Zhang, Zhen-Hua,Niu, Yunyin. "A novel twin-nest-shaped supramolecular cluster compound [Et 3N(n-Bu)]4[(Mo2O2S 6Cu6I6)]: Synthesis, crystal structure, and characterization". . p. 1372 - 1374. Retrieved 2013.
• 4、 Satish, Lakkoji,Millan, Sabera,Bera, Krishnendu,Mohapatra, Sujata,Sahoo, Harekrushna. "A spectroscopic and molecular dynamics simulation approach towards the stabilizing effect of ammonium-based ionic liquids on bovine serum albumin". . p. 10712 - 10722. Retrieved 2017.
• 5、 Kellett Jr.,Doggett. "Cholinergic anionic receptors. 3. Steric requirements for quaternary ammonium inhibitors of acetylcholinesterase II.". . p. 414 - 417. Retrieved 1966.
• 6、 Muntzeck, Maren,Pippert, Felix,Wilhelm, René. "Tetraalkylammonium-based ionic liquids for a RuCl3 catalyzed C–H activated homocoupling". supporting information. . Retrieved 2020/06/09.