Quinolinium, 1,6-dimethyl-2-(2-(methylthio)-2-(4-morpholinyl)ethenyl)-, iodide

Base Information

• Chemical Name: Quinolinium, 1,6-dimethyl-2-(2-(methylthio)-2-(4-morpholinyl)ethenyl)-, iodide
• CAS No.: 74020-12-5
• Molecular Formula: C₁₈H₂₃N₂OS*I
• Molecular Weight: 442.364
• NSC Number: 316720
• DSSTox Substance ID: DTXSID60995327
• ChEMBL ID: CHEMBL155854
• Mol file: 74020-12-5.mol

Synonyms:NSC 316720;74020-12-5;1,6-Dimethyl-2-(2-(methylthio)-2-(4-morpholinyl)ethenyl)quinolinium iodide;Quinolinium, 1,6-dimethyl-2-(2-(methylthio)-2-(4-morpholinyl)ethenyl)-, iodide;NSC-316720;C18H23N2OS.I;CHEMBL155854;DTXSID60995327;NSC316720;LS-142328;Quinolinium,6-dimethyl-2-[2-(methylthio)-2-(4-morpholinyl)ethenyl]-, iodide;4-[2-(1,6-Dimethylquinolin-2(1H)-ylidene)-1-(methylsulfanyl)ethylidene]morpholin-4-ium iodide

Chemical Property of Quinolinium, 1,6-dimethyl-2-(2-(methylthio)-2-(4-morpholinyl)ethenyl)-, iodide

Chemical Property:

• Boiling Point: 502.5°Cat760mmHg
• Flash Point: 257.7°C
• Density: 1.182g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 442.05758
• Heavy Atom Count: 23
• Complexity: 395

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(N3CCOCC3)SC)C.[I-]
• Isomeric SMILES: CC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C(/N3CCOCC3)\SC)C.[I-]

Technology Process of Quinolinium, 1,6-dimethyl-2-(2-(methylthio)-2-(4-morpholinyl)ethenyl)-, iodide

There total 3 articles about Quinolinium, 1,6-dimethyl-2-(2-(methylthio)-2-(4-morpholinyl)ethenyl)-, 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: 85.0%

morpholine (110-91-8,99108-56-2) + 2-bis(2-methylthio)vinyl-1,6-dimethylquinolinium iodide → 1,6-dimethyl-2-<2-methylthio-2-(1-morpholino)vinyl>quinolinium iodide (74020-12-5)

Guidance literature:

In N,N-dimethyl-formamide; at 35 ℃; for 132h;

DOI:10.1002/jps.2600690434

Reference yield:

1,2,6-trimethylquinolin-1-ium iodide (31385-19-0) → 1,6-dimethyl-2-<2-methylthio-2-(1-morpholino)vinyl>quinolinium iodide (74020-12-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) aq. NaOH / 1.) toluene, 1 h, 2.) 25 deg C

2: 8.3 g / dimethylformamide / 25 °C

3: 85 percent / dimethylformamide / 132 h / 35 °C

With sodium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1002/jps.2600690434

Reference yield:

C13H13NS2 (67943-66-2) → 1,6-dimethyl-2-<2-methylthio-2-(1-morpholino)vinyl>quinolinium iodide (74020-12-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 8.3 g / dimethylformamide / 25 °C

2: 85 percent / dimethylformamide / 132 h / 35 °C

In N,N-dimethyl-formamide;

DOI:10.1002/jps.2600690434

upstream raw materials:

morpholine

1,2,6-trimethylquinolin-1-ium iodide

C₁₃H₁₃NS₂

Refernces