Phenyltrimethylammonium tribromide

Base Information

• Chemical Name: Phenyltrimethylammonium tribromide
• CAS No.: 4207-56-1
• Molecular Formula: C9H14N^.Br3
• Molecular Weight: 375.929
• Hs Code.: 29239000
• DSSTox Substance ID: DTXSID30962263
• Mol file: 4207-56-1.mol

Synonyms:Trimethylphenylammonium tribromide;Benzenaminium, N,N,N-trimethyl-, (tribromide);Jacques reagent;Benzenaminium,N,N,N-trimethyl-,(tribromide);40379-10-0;Benzenaminium, N,N, N-trimethyl-, (tribromide);Ammonium, trimethylphenyl-, (tribromide);3426-74-2;

Chemical Property of Phenyltrimethylammonium tribromide

Chemical Property:

• Appearance/Colour: orange crystalline powder
• Melting Point: 110-115 °C
• Refractive Index: 1.6500 (estimate)
• PSA: 0.00000
• Density: 2.2071 (rough estimate)
• LogP: 0.57850
• Storage Temp.: Refrigerator
• Sensitive.: Hygroscopic
• Solubility.: ethanol: 10 mg/mL hot, clear
• Water Solubility.: Insoluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 374.86559
• Heavy Atom Count: 13
• Complexity: 95.8

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Trimethylphenylammonium tribromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-37
• Safety Statements: 26-36/37/39-45-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[N+](C)(C)C1=CC=CC=C1.[Br-].BrBr
• Uses: Phenyltrimethylammonium tribromide is used as brominating reagent for 1,2-addition of bromine to the double bond of α,β-unsaturated compounds.

Technology Process of Phenyltrimethylammonium tribromide

There total 4 articles about Phenyltrimethylammonium tribromide 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:

→ phenyltrimethylammonium tribromide (4207-56-1)

Guidance literature:

With bromine;

Reference yield:

N,N,N-trimethylanilinium bromide (16056-11-4) → phenyltrimethylammonium tribromide (4207-56-1)

Guidance literature:

With bromine;

Reference yield:

N,N-dimethyl-aniline (121-69-7,77733-26-7) + dimethyl sulfate (77-78-1) → phenyltrimethylammonium tribromide (4207-56-1)

Guidance literature:

N,N-dimethyl-aniline; dimethyl sulfate;

With hydrogen bromide; bromine;

upstream raw materials:

N,N,N-trimethylanilinium bromide

N,N-dimethyl-aniline

dimethyl sulfate

methyl bromide

Downstream raw materials:

N,N,N-trimethylanilinium bromide

(E)-2-bromo-1-[2-(2-nitrostyryl)-1-(phenylsulfonyl)-1H-indol-3-yl]-ethanone

3-benzoyloxy-ω-bromoacetophenone

Refernces

• 1、 Kumar, Anil,Ahmed, Israr,Rao,Patel, Gautam,Kumar, Dalip. "A simple and efficient PTT-mediated synthesis of a-azidoketones in [bmim][BF4] ionic liquid". experimental part. p. 611 - 616. Retrieved 2009/12/06.