Benzenaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt

Base Information

• Chemical Name: Benzenaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt
• CAS No.: 31061-58-2
• Molecular Formula: C9H13 N O
• Molecular Weight: 152.213
• NSC Number: 244315
• DSSTox Substance ID: DTXSID20185020
• Wikidata: Q83055967
• Mol file: 31061-58-2.mol

Synonyms:31061-58-2;Benzenaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt;Ammonium, (o-hydroxyphenyl)trimethyl-, hydroxide, inner salt;SCHEMBL16673246;DTXSID20185020;NSC244315;NSC 244315;NSC-244315

Chemical Property of Benzenaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 23.06000
• Density: g/cm³
• LogP: 2.02710
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)C1=CC=CC=C1[O-]

Technology Process of Benzenaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt

There total 5 articles about Benzenaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt 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: 66.0%

2-hydroxy-N,N,N-trimethylanilinium iodide (21405-07-2) → 2-(trimethylammonio)phenolate (31061-58-2)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/ol102539x

Reference yield:

→ 2-(trimethylammonio)phenolate (31061-58-2)

Guidance literature:

With water; silver(l) oxide; dann dampft man die filtrierte Fluessigkeit ein;

DOI:10.1007/BF02766100

Reference yield:

2-hydroxy-N,N,N-trimethylanilinium ion (68059-83-6) → 2-(trimethylammonio)phenolate (31061-58-2)

Guidance literature:

In water; at 25 ℃; Thermodynamic data; other solvents, enthalpy of solvent transfer;

DOI:10.1021/j100231a028

upstream raw materials:

2-hydroxy-N,N,N-trimethylanilinium ion

2-hydroxy-N,N,N-trimethylanilinium iodide

water

Downstream raw materials:

2-methoxy-N,N-dimethyl-benzenamine

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