Benzyltrimethylammonium bromide

Base Information

• Chemical Name: Benzyltrimethylammonium bromide
• CAS No.: 5350-41-4
• Molecular Formula: C10H16 N . Br
• Molecular Weight: 230.148
• Hs Code.: 2827590000
• European Community (EC) Number: 226-320-2
• NSC Number: 24
• UNII: UF55CY4478
• DSSTox Substance ID: DTXSID40968236
• Mol file: 5350-41-4.mol

Synonyms:benzyltrimethylammonium;benzyltrimethylammonium acetate;benzyltrimethylammonium bromide;benzyltrimethylammonium butanoate;benzyltrimethylammonium carbonate (2:1);benzyltrimethylammonium chloride;benzyltrimethylammonium formate;benzyltrimethylammonium heptanoate;benzyltrimethylammonium hexafluorophosphate (1-);benzyltrimethylammonium hexanoate;benzyltrimethylammonium hydroxide;benzyltrimethylammonium iodide;benzyltrimethylammonium methoxide;benzyltrimethylammonium nonanoate;benzyltrimethylammonium octanoate;benzyltrimethylammonium pentanoate;benzyltrimethylammonium propanoate

Chemical Property of Benzyltrimethylammonium bromide

Chemical Property:

• Appearance/Colour: white to light yellow crystal powde
• Vapor Pressure: 1.85E-10mmHg at 25°C
• Melting Point: 228-234 ºC
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: -1.10320
• 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: 2
• Exact Mass: 229.04661
• Heavy Atom Count: 12
• Complexity: 107

Purity/Quality:

99% ^*data from raw suppliers

Benzyltrimethylammonium Bromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: C[N+](C)(C)CC1=CC=CC=C1.[Br-]
• Uses: Benzyltrimethylammonium bromide (BTMAB) can be used as a starting material for the synthesis of benzyltrimethylammonium fluorochromate (BTMAFC) by treating with an aqueous solution of CrO3 and HF. BTMAFC can be utilized as an efficient oxidizing reagent for the selective oxidation of oximes into ketones or aldehydes, and primary, secondary, allylic as well as benzylic alcohols to their corresponding carbonyl compounds.BTMAB can be also used as:?????? An oxidizing reagent for the conversion of monosubstituted benzylamines into corresponding aldimines in the presence of DMSO.?????? A benzylating reagent for the benzylation of aryl amide C-H bond using Ni catalyst.

Technology Process of Benzyltrimethylammonium bromide

There total 3 articles about Benzyltrimethylammonium 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) + trimethylamine (75-50-3) → trimethylbenzylammonium bromide (5350-41-4)

Guidance literature:

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

DOI:10.1055/s-0035-1562344

Reference yield: 72.0%

DBC (3459-92-5) + trimethyl ammonium bromide (2840-24-6) → trimethylbenzylammonium bromide (5350-41-4)

Guidance literature:

With 1-ethyl-3-methylimidazolium bromide; at 169.84 ℃; for 8h;

DOI:10.1002/adsc.200600451

Reference yield:

N,N'-dimethylbenzylamine (103-83-3) + methyl bromide (74-83-9) → trimethylbenzylammonium bromide (5350-41-4)

Guidance literature:

In acetone; at 0 ℃;

DOI:10.1023/A:1014402102186

upstream raw materials:

benzyl bromide

trimethylamine

N,N'-dimethylbenzylamine

methyl bromide

Downstream raw materials:

1,1,2-triphenylethane

dimethyl(1-phenylethyl)amine

trimethylamine

benzyl methyl ether

Refernces

• 1、 -. "Alkali stability excellent imidazole and imidazolium cation". Paragraph 0290-0292. . Retrieved 2018/04/13.
• 2、 Hugar, Kristina M.,Kostalik, Henry A.,Coates, Geoffrey W.. "Imidazolium Cations with Exceptional Alkaline Stability: A Systematic Study of Structure-Stability Relationships". supporting information. p. 8730 - 8737. Retrieved 2015/07/27.