4-[(E)-2-(1H-Indol-3-YL)-vinyl]-1-methyl-pyridinium; iodide

Base Information

• Chemical Name: 4-[(E)-2-(1H-Indol-3-YL)-vinyl]-1-methyl-pyridinium; iodide
• CAS No.: 26608-75-3
• Molecular Formula: C₁₆H₁₅N₂*I
• Molecular Weight: 362.213
• European Community (EC) Number: 668-548-9
• NSC Number: 158021
• ChEMBL ID: CHEMBL1485211
• Mol file: 26608-75-3.mol

Synonyms:F16;36098-33-6;4-[(E)-2-(1H-INDOL-3-YL)-VINYL]-1-METHYL-PYRIDINIUM;IODIDE;26608-75-3;3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole;iodide;(E)-4-(3-indolylvinyl)-N-methylpyridinium iodide;4-[(E)-2-(1H-Indol-3-yl)-vinyl]-1-methyl-pyridinium;4-[(E)-2-(Indol-3-yl)ethenyl]-N-methylpyridinium iodide;SMR000178707;MLS000557147;CHEMBL1485211;SCHEMBL17270524;HMS2542C03;HMS3648A09;NSC158021;AKOS027469358;CS-5707;NSC-158021;MS-25743;HY-100395;F85403;SR-01000485413-3;(e)-4-(1h-indol-3-ylvinyl)-N-methylpyridinium iodide

Chemical Property of 4-[(E)-2-(1H-Indol-3-YL)-vinyl]-1-methyl-pyridinium; iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 362.02800
• Heavy Atom Count: 19
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CC=C(C=C1)C=CC2=CNC3=CC=CC=C32.[I-]
• Isomeric SMILES: C[N+]1=CC=C(C=C1)/C=C/C2=CNC3=CC=CC=C32.[I-]

Technology Process of 4-[(E)-2-(1H-Indol-3-YL)-vinyl]-1-methyl-pyridinium; iodide

There total 6 articles about 4-[(E)-2-(1H-Indol-3-YL)-vinyl]-1-methyl-pyridinium; 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: 51.7%

C15H12N2 + methyl iodide (74-88-4) → 4-[(E)-2-(1H-Indol-3-yl)-vinyl]-1-methyl-pyridinium; iodide (26608-75-3,36098-33-6,465537-64-8)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.ejmech.2018.05.036

Reference yield:

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) → 4-[(E)-2-(1H-Indol-3-yl)-vinyl]-1-methyl-pyridinium; iodide (26608-75-3,36098-33-6,465537-64-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyrrolidine / ethanol; ethane-1,2-diol

2: ethanol; ethane-1,2-diol / 0.05 h / microwave irradiation

pyrrolidine; In ethanol; ethylene glycol;

DOI:10.1021/ja027587x

Reference yield:

N-methyl-4-methylpyridinium iodide (2301-80-6) → 4-[(E)-2-(1H-Indol-3-yl)-vinyl]-1-methyl-pyridinium; iodide (26608-75-3,36098-33-6,465537-64-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyrrolidine / ethanol; ethane-1,2-diol

2: ethanol; ethane-1,2-diol / 0.05 h / microwave irradiation

pyrrolidine; In ethanol; ethylene glycol;

DOI:10.1021/ja027587x

upstream raw materials:

Indole-3-carboxaldehyde

N-methyl-4-methylpyridinium iodide

pyridine-4-carbaldehyde

3-(Dimethylaminomethyl)indole