Benzenaminium, 3-carboxy-N,N,N-trimethyl-, inner salt

Base Information

• Chemical Name: Benzenaminium, 3-carboxy-N,N,N-trimethyl-, inner salt
• CAS No.: 33192-03-9
• Molecular Formula: C10H14NO2+
• Molecular Weight: 179.219
• DSSTox Substance ID: DTXSID401214212
• Mol file: 33192-03-9.mol

Synonyms:33192-03-9;DTXSID401214212;Benzenaminium, 3-carboxy-N,N,N-trimethyl-, inner salt

Chemical Property of Benzenaminium, 3-carboxy-N,N,N-trimethyl-, inner salt

Chemical Property:

• PKA: pK1: 3.217(+1) (25°C)
• PSA: 40.13000
• LogP: 0.24680
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 190

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)C(=O)[O-]

Technology Process of Benzenaminium, 3-carboxy-N,N,N-trimethyl-, inner salt

There total 2 articles about Benzenaminium, 3-carboxy-N,N,N-trimethyl-, 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:

→ 3-carboxy-tri-N-methyl-anilinium betaine (33192-03-9)

Guidance literature:

With silver(l) oxide;

Reference yield:

(3-carboxyphenyl)trimethylammonium iodide (2345-55-3) → 3-carboxy-tri-N-methyl-anilinium betaine (33192-03-9)

Guidance literature:

Reference yield:

3-carboxy-tri-N-methyl-anilinium betaine (33192-03-9) → 3-(dimethylamino)benzoic acid (99-64-9)

Guidance literature:

Multi-step reaction with 2 steps

1: beim Erhitzen bis zum Schmelzen

2: alcoholic potash

With potassium carbonate;

upstream raw materials:

(3-carboxyphenyl)trimethylammonium iodide

Downstream raw materials:

3-(dimethylamino)benzoic acid methyl ester

3-carboxy-tri-N-methyl-anilinium; chloride

cyclohexa-1,3-diene-1-carboxylic acid

trimethylamine