4-nitro-1-oxido-3-[(E)-2-phenylethenyl]pyridin-1-ium

Base Information

• Chemical Name: 4-nitro-1-oxido-3-[(E)-2-phenylethenyl]pyridin-1-ium
• CAS No.: 54629-90-2
• Molecular Formula: C13H10 N2 O3
• Molecular Weight: 242.234
• Hs Code.: 2933399090
• NSC Number: 52461
• Mol file: 54629-90-2.mol

Synonyms:NSC52461;54629-90-2;SCHEMBL14292150;NSC-52461

Chemical Property of 4-nitro-1-oxido-3-[(E)-2-phenylethenyl]pyridin-1-ium

Chemical Property:

• Vapor Pressure: 1.35E-09mmHg at 25°C
• Boiling Point: 498.9°C at 760 mmHg
• Flash Point: 255.5°C
• PSA: 71.28000
• Density: 1.22g/cm³
• LogP: 3.71690
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 242.06914219
• Heavy Atom Count: 18
• Complexity: 308

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)C=CC2=C(C=C[N+](=C2)[O-])[N+](=O)[O-]
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C2=C(C=C[N+](=C2)[O-])[N+](=O)[O-]

Technology Process of 4-nitro-1-oxido-3-[(E)-2-phenylethenyl]pyridin-1-ium

There total 2 articles about 4-nitro-1-oxido-3-[(E)-2-phenylethenyl]pyridin-1-ium 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-methyl-4-nitropyridine N-oxide (1074-98-2) + benzaldehyde (100-52-7) → 4-nitro-3-styrylpyridine 1-oxide (54629-90-2)

Guidance literature:

With piperidine; methanol;

Reference yield:

→ 4-nitro-3-styrylpyridine 1-oxide (54629-90-2)

Guidance literature:

1) aus 4-Nitro-3-methyl-pyridin-1-oxid, Benzaldehyd, Ggw. v. Piperidin/ abs. A., Sd.-Temp., (3 h), Raum-Temp. (8 h);

DOI:10.1021/jo01075a617

Reference yield: 91.0%

4-nitro-3-(2-phenylethenyl)pyridine N-oxide (54629-90-2) → 2-phenyl-1H-pyrrolo[3,2-c]pyridine (37388-07-1)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 1,10-Phenanthroline; carbon monoxide; In acetonitrile; at 120 ℃; for 22h; under 4560.31 Torr;

DOI:10.1016/j.tet.2010.01.029

upstream raw materials:

3-methyl-4-nitropyridine N-oxide

benzaldehyde

Downstream raw materials:

2,2'-diphenyl-1,1'-pyrrolo<3,2-c>pyridine

4-nitro-3-[(E)-2-phenylethenyl]pyridine

2-phenyl-1H-pyrrolo[3,2-c]pyridine

N-{3-[(E)-2-phenylethenyl]pyridin-4-yl}hydroxylamine