1,6-Trimethylquinolinium iodide

Base Information

• Chemical Name: 1,6-Trimethylquinolinium iodide
• CAS No.: 31385-19-0
• Molecular Formula: C12H14 N . I
• Molecular Weight: 173.2542
• ChEMBL ID: CHEMBL4079028
• DSSTox Substance ID: DTXSID10482510
• NSC Number: 117166
• Mol file: 31385-19-0.mol

Synonyms:31385-19-0;AGN-PC-0NI8QX;1,6-Trimethylquinolinium iodide;CHEMBL4079028;DTXSID10482510;Quinolinium,2,6-trimethyl-, iodide;NSC117166;NSC-117166;WLN: T66 BKJ B1 C1 H1 &I

Chemical Property of 1,6-Trimethylquinolinium iodide

Chemical Property:

• Vapor Pressure: 0.00345mmHg at 25°C
• Boiling Point: 282°Cat760mmHg
• Flash Point: 113.6°C
• Density: 0.979g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 299.01710
• Heavy Atom Count: 14
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)[N+](=C(C=C2)C)C.[I-]

Technology Process of 1,6-Trimethylquinolinium iodide

There total 2 articles about 1,6-Trimethylquinolinium 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: 36.0%

2,6-dimethylquinoline (877-43-0) + methyl iodide (74-88-4) → 1,2,6-trimethylquinolin-1-ium iodide (31385-19-0)

Guidance literature:

In isopropyl alcohol; at 90 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.7b00389

Reference yield:

→ 1,2,6-trimethylquinolin-1-ium iodide (31385-19-0)

Guidance literature:

6-Methylchinaldin, CH3I;

DOI:10.1002/jps.2600670724

Reference yield: 72.8%

3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde (22042-79-1) + 1,2,6-trimethylquinolin-1-ium iodide (31385-19-0) → 2-[(E)-2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethenyl]-1,6-dimethylquinolin-1-ium iodide

Guidance literature:

With piperidine; In methanol; at 70 ℃; for 4h; Inert atmosphere;

DOI:10.3390/ph15020189

upstream raw materials:

2,6-dimethylquinoline

methyl iodide

Downstream raw materials:

C₁₃H₁₃NS₂

1,6-dimethyl-2-<2-methylthio-2-(1-morpholino)vinyl>quinolinium iodide