1-Methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]pyridin-1-ium iodide

Base Information

• Chemical Name: 1-Methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]pyridin-1-ium iodide
• CAS No.: 5418-65-5
• Molecular Formula: C14H14N2O2
• Molecular Weight: 242.2732
• DSSTox Substance ID: DTXSID10561172
• NSC Number: 10501
• Mol file: 5418-65-5.mol

Synonyms:5418-65-5;DTXSID10561172;1-Methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]pyridin-1-ium iodide;NSC10501;NSC-10501

Chemical Property of 1-Methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]pyridin-1-ium iodide

Chemical Property:

• Vapor Pressure: 1.45E-06mmHg at 25°C
• Boiling Point: 398.7°Cat760mmHg
• Flash Point: 194.9°C
• Density: 1.248g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 368.00218
• Heavy Atom Count: 19
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CC=CC=C1C=CC2=CC(=CC=C2)[N+](=O)[O-].[I-]
• Isomeric SMILES: C[N+]1=CC=CC=C1/C=C/C2=CC(=CC=C2)[N+](=O)[O-].[I-]

Technology Process of 1-Methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]pyridin-1-ium iodide

There total 2 articles about 1-Methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]pyridin-1-ium 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:

3-nitro-benzaldehyde (99-61-6) + N-methyl-2-methylpyridinium iodide (872-73-1) → 1-methyl-2-(3-nitro-trans-styryl)-pyridinium; iodide (5418-65-5)

Guidance literature:

With piperidine; methanol;

DOI:10.1021/ja01240a505 DOI:10.1021/jo01115a612 DOI:10.1021/jo01166a020

Reference yield:

methyl iodide (74-88-4) → 1-methyl-2-(3-nitro-trans-styryl)-pyridinium; iodide (5418-65-5)

Guidance literature:

DOI:10.1021/jo01115a612

upstream raw materials:

3-nitro-benzaldehyde

N-methyl-2-methylpyridinium iodide

methyl iodide