3-Hydroxy-N,N,N-trimethylbenzenaminium iodide

Base Information

• Chemical Name: 3-Hydroxy-N,N,N-trimethylbenzenaminium iodide
• CAS No.: 2498-27-3
• Molecular Formula: C9H14 N O . I
• Molecular Weight: 279.121
• ChEMBL ID: CHEMBL37773
• Mol file: 2498-27-3.mol

Synonyms:3-hydroxyphenyltrimethylammonium;3-hydroxyphenyltrimethylammonium bromide;3-hydroxyphenyltrimethylammonium bromide, 14C-labeled;3-hydroxyphenyltrimethylammonium iodide;PTMA

Chemical Property of 3-Hydroxy-N,N,N-trimethylbenzenaminium iodide

Chemical Property:

• Melting Point: 195-197 °C(Solv: ethanol (64-17-5))
• PSA: 23.06000
• LogP: 3.02530
• Storage Temp.: Refrigerator
• Solubility.: DMSO, Water
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 279.01201
• Heavy Atom Count: 12
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

3-HydroxyphenyltrimethylammoniumIodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)C1=CC(=CC=C1)O.[I-]
• Uses: 3-Hydroxyphenyltrimethylammonium iodide is an acetylcholinesterase inhibitor.

Technology Process of 3-Hydroxy-N,N,N-trimethylbenzenaminium iodide

There total 7 articles about 3-Hydroxy-N,N,N-trimethylbenzenaminium iodide 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: 90.0%

3-Dimethylaminophenol (99-07-0) + methyl iodide (74-88-4) → (3-hydroxyphenyl)trimethylammonium iodide (2498-27-3)

Guidance literature:

In acetonitrile; at 20 ℃; for 20h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.organomet.8b00899

Reference yield:

3-decanoyloxy-N-trimethylanilinium iodide (84649-54-7) → 1-decanoic acid (334-48-5) + (3-hydroxyphenyl)trimethylammonium iodide (2498-27-3)

Guidance literature:

With sodium hydroxide; poly(trimethylvinylbenzylammonium chloride); at 25 ℃; Thermodynamic data; without PMVA and also with sodium poly(styrenesulfonate); ΔG(excit.), ΔH(excit.), ΔS(excit.);

DOI:10.1021/j100230a026

Reference yield:

3-octanoyloxy-N-trimethylanilinium iodide (84649-53-6) → Octanoic acid (124-07-2) + (3-hydroxyphenyl)trimethylammonium iodide (2498-27-3)

Guidance literature:

With sodium hydroxide; poly(trimethylvinylbenzylammonium chloride); at 25 ℃; Thermodynamic data; without PMVA and also with sodium poly(styrenesulfonate); ΔG(excit.), ΔH(excit.), ΔS(excit.);

DOI:10.1021/j100230a026

upstream raw materials:

m-Hydroxyaniline

methyl iodide

3-Dimethylaminophenol

dimethyl sulfate

Downstream raw materials:

3-Dimethylaminophenol

4-nitro-phenol

meta-(trimethylammonio)phenolate betaine