Benzyltrimethylammonium hydroxide

Base Information

• Chemical Name: Benzyltrimethylammonium hydroxide
• CAS No.: 100-85-6
• Molecular Formula: C10H16N^.HO
• Molecular Weight: 167.251
• Hs Code.: 29239000
• European Community (EC) Number: 202-895-5
• NSC Number: 261034
• UNII: 8P4488425W
• DSSTox Substance ID: DTXSID3044332
• Wikipedia: Benzyltrimethylammonium_hydroxide
• Wikidata: Q4890825
• ChEMBL ID: CHEMBL3188269
• Mol file: 100-85-6.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 hydroxide

Chemical Property:

• Appearance/Colour: clear slightly yellow solution
• Vapor Pressure: 0Pa at 25℃
• Melting Point: -98oC
• Refractive Index: n20/D 1.43
• Boiling Point: 65 °C
• Flash Point: 15°C
• PSA: 23.06000
• Density: 1.059 g/mL at 25 °C
• LogP: 1.71600
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Solubility.: Miscible with alcohols, hydrocarbons, aromatic hydrocarbons and
• Water Solubility.: Miscible with water, hydrocarbons, aromatic hydrocarbons and halogenated solvents.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 167.131014166
• Heavy Atom Count: 12
• Complexity: 107

Purity/Quality:

99% ^*data from raw suppliers

BenzyltrimethylammoniumHydroxide(40%aq) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, T, F
• Hazard Codes: C,T,F
• Statements: 34-39/23/24/25-23/24/25-11
• Safety Statements: 26-36/37/39-45-46-16-28A-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: C[N+](C)(C)CC1=CC=CC=C1.[OH-]
• Uses: Benzyltrimethylammonium hydroxide is used as a phase-transfer catalyst. It is also used in aldol condensation reactions and base-catalyzed dehydration reactions. Further, it serves as a strong organic base and used in Horner-Wadsworth-Emmons olefination reactions. In addition, it is an active component in the formulation, which is used in silicon wafer cleaning applications. Benzyltrimethylammonium hydroxide can be used:As a base in the synthesis of activated ynesulfonamides and tertiary enesulfonamides.In the synthesis of 3-indolyl-3-hydroxy oxindoles by treating isatin with indole.As a precursor for the preparation of quaternary ammonium acetate, benzyltrimethylammonium acetate (NBz111AcO). NBz111AcO solution in DMSO can be used to dissolve cellulose.

Technology Process of Benzyltrimethylammonium hydroxide

There total 8 articles about Benzyltrimethylammonium hydroxide 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: 40.0%

→ la-Acetyl-7-demethoxy-6-demethyl-6,7-dihydro-7-ethylenedioxy-6-(2-methoxyethoxy)methylmitomycin A + N-benzyl-trimethylammonium hydroxide (100-85-6)

Guidance literature:

Reference yield:

3-methyl-4-nitrobutyric acid ethyl ester (2985-50-4) + ethyl acrylate (140-88-5,9003-32-1) → 3-methyl-4-nitro-heptanedioic acid diethyl ester (412296-96-9) + N-benzyl-trimethylammonium hydroxide (100-85-6)

Guidance literature:

at 50 - 55 ℃; bei 2-taegiger Einw_.;

DOI:10.1021/ja01173a062

Reference yield:

benzyl bromide (100-39-0) → N-benzyl-trimethylammonium hydroxide (100-85-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / acetone; ethanol

2: IONAC Na-38 [OH(-) form]

With IONAC Na-38 [OH(-) form]; In ethanol; acetone; 1: Alkylation / 2: Anion exchange;

DOI:10.1021/jp992549u

upstream raw materials:

3-methyl-4-nitrobutyric acid ethyl ester

ethyl acrylate

benzyltrimethylammonium chloride

water

Downstream raw materials:

3-(benzylthio)propan-1-ol

NSC-42813

benzyl alcohol

trimethylamine

Refernces

• 1、 -. "Mitomycin derivatives". . . Retrieved 2008/06/13.
• 2、 -. "6,7-(epithio)-3,7-dimethyl-1,3-octadiene and use thereof in augmenting or enhancing aroma of perfume compositions, colognes and perfurmed articles". . . Retrieved 2008/06/13.