Benzyltriethylammonium bromide

Base Information

• Chemical Name: Benzyltriethylammonium bromide
• CAS No.: 5197-95-5
• Molecular Formula: C13H22N^.Br
• Molecular Weight: 272.228
• Hs Code.: 29239000
• European Community (EC) Number: 225-986-1
• DSSTox Substance ID: DTXSID20966295
• Mol file: 5197-95-5.mol

Synonyms:Ammonium,benzyltriethyl-, bromide (8CI);Benzenemethanaminium, N,N,N-triethyl-, bromide(9CI);Benzyltriethylammonium bromide (6CI,7CI);Triethylbenzylammonium bromide;N-Benzyl-N,N,N-triethylammonium bromide;

Chemical Property of Benzyltriethylammonium bromide

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Melting Point: 193-195 °C (dec.)(lit.)
• Refractive Index: 1.5260 (estimate)
• Density: 1.2838 (rough estimate)
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 271.09356
• Heavy Atom Count: 15
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

Benzyltriethylammonium Bromide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: CC[N+](CC)(CC)CC1=CC=CC=C1.[Br-]

Technology Process of Benzyltriethylammonium bromide

There total 5 articles about Benzyltriethylammonium 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: 98.0%

benzyl bromide (100-39-0) + triethylamine (121-44-8) → benzyltriethylammonium bromide (5197-95-5)

Guidance literature:

In tetrahydrofuran; ethanol; at 25 ℃; for 24h; Inert atmosphere;

DOI:10.1055/s-0035-1562344

Reference yield:

ethyl bromide (74-96-4) + N,N-diethylbenzylamine (772-54-3) → benzyltriethylammonium bromide (5197-95-5)

Guidance literature:

With benzene; at 100 ℃;

Reference yield:

benzyl bromide (100-39-0) + triethylamine (121-44-8) → benzyltriethylammonium bromide (5197-95-5) + benzyl-triethylphosphonium bromide (7016-55-9)

Guidance literature:

With triethylphosphine; In diethyl ether; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1007/BF00954168

upstream raw materials:

ethyl bromide

N,N-diethylbenzylamine

benzyl bromide

triethylamine

Downstream raw materials:

N,N-diethylbenzylamine

2-[(p-chloromethyl)phenyl]propionic acid

alpha-chloro-N-(methoxymethyl)-N-(2,6-dimethoxyphenyl)acetamide

O-(methoxymethyl)-N-(2,6-dimethyl-1-cyclohexen-1-yl)-2-chloroacetimidate

Refernces

• 1、 Chai, Yunfeng,Wang, Lin,Sun, Hezhi,Guo, Cheng,Pan, Yuanjiang. "Gas-phase chemistry of benzyl cations in dissociation of N-Benzylammonium and N-benzyliminium ions studied by mass spectrometry". experimental part. p. 823 - 833. Retrieved 2012/09/07.
• 2、 Kostyanovskii, R. G.,El'natanov, Yu. I.,Shikhaliev, Sh. M.,Ignatov, S. M.,Chervin, I. I.. "GEMINAL SYSTEMS. 19. REACTIONS OF AMINOMETHYLPHOSPHINES WITH ELECTROPHILIC REAGENTS". . p. 1433 - 1441. Retrieved 2007/10/02.