Pyridinium, 1-(4-hydroxyphenyl)-2,4,6-triphenyl-, inner salt

Base Information

• Chemical Name: Pyridinium, 1-(4-hydroxyphenyl)-2,4,6-triphenyl-, inner salt
• CAS No.: 17658-06-9
• Molecular Formula: C29H21 N O
• Molecular Weight: 399.492
• DSSTox Substance ID: DTXSID6066238
• Wikidata: Q81992826
• Mol file: 17658-06-9.mol

Synonyms:Pyridinium, 1-(4-hydroxyphenyl)-2,4,6-triphenyl-, inner salt;17658-06-9;4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate;Pyridinium, 1-(4-hydroxyphenyl)-2,4,6-triphenyl-, hydroxide, inner salt;4-(2,4,6-triphenylpyridinium-1-yl)phenolate;DTXSID6066238;C29-H21-N-O;AKOS037505353;J-004921;1-(4-Hydroxyphenyl)-2,4,6-triphenylpyridinium hydroxide inner salt

Chemical Property of Pyridinium, 1-(4-hydroxyphenyl)-2,4,6-triphenyl-, inner salt

Chemical Property:

• PSA: 26.94000
• LogP: 7.10810
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 399.162314293
• Heavy Atom Count: 31
• Complexity: 495

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)[O-])C5=CC=CC=C5

Technology Process of Pyridinium, 1-(4-hydroxyphenyl)-2,4,6-triphenyl-, inner salt

There total 6 articles about Pyridinium, 1-(4-hydroxyphenyl)-2,4,6-triphenyl-, 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: 85.0%

4-amino-phenol (123-30-8) + 2,4,6-Triphenylpyrylium hydrogen sulfate (51071-75-1) → 4-(2,4,6-triphenylpyridinium-1-yl)-phenolate (17658-06-9)

Guidance literature:

With sodium acetate; In ethanol; for 3h; Heating;

DOI:10.1039/b204654g

Reference yield:

4-amino-phenol (123-30-8) → 4-(2,4,6-triphenylpyridinium-1-yl)-phenolate (17658-06-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 1H-imidazole / 26 h / Inert atmosphere

2: acetic acid / ethanol / 12 h / 70 °C / Inert atmosphere

3: tetra-n-butylammonium cyanide / acetonitrile; water

With 1H-imidazole; tetra-n-butylammonium cyanide; acetic acid; In ethanol; water; acetonitrile;

DOI:10.1016/j.tetlet.2015.06.037

Reference yield:

2,4,6-triphenyl-1-[4-(triisopropylsilyloxy)phenyl]pyridinium perchlorate → 4-(2,4,6-triphenylpyridinium-1-yl)-phenolate (17658-06-9)

Guidance literature:

With tetra-n-butylammonium cyanide; In water; acetonitrile; Reagent/catalyst;

DOI:10.1016/j.tetlet.2015.06.037

upstream raw materials:

4-amino-phenol

2,4,6-triphenylpyrylium iodide

2,4,6-Triphenylpyrylium hydrogen sulfate

4-[[tris(propan-2-yl)silyl]oxy]aniline

Downstream raw materials:

1-(4-hydroxyphenyl)-2,4,6-triphenylpyridinium-3-olate

3-<amino>-1,3-diphenylprop-2-en-1-one

1,2-dihydro-2-hydroperoxy-1-(p-hydroxyphenyl)-2,4,6-triphenylpyridine