1-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)quinolinium iodide

Base Information

• Chemical Name: 1-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)quinolinium iodide
• CAS No.: 16025-99-3
• Molecular Formula: C21H21 N2 S . I
• Molecular Weight: 460.382
• European Community (EC) Number: 240-165-8
• DSSTox Substance ID: DTXSID20936256
• Mol file: 16025-99-3.mol

Synonyms:16025-99-3;EINECS 240-165-8;1-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)quinolinium iodide;(2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole;iodide;1-ETHYL-2-[(3-ETHYL-3H-BENZOTHIAZOL-2-YLIDENE)METHYL]QUINOLINIUM IODIDE;DTXSID20936256;3-Ethyl-2-[(1-ethylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium iodide

Chemical Property of 1-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)quinolinium iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 37.05000
• Density: g/cm³
• LogP: 1.29720
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 460.04702
• Heavy Atom Count: 25
• Complexity: 463

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4C=C3)CC.[I-]
• Isomeric SMILES: CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=CC=CC=C4C=C3)CC.[I-]

Technology Process of 1-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)quinolinium iodide

There total 13 articles about 1-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)quinolinium 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:

→ 1-ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl)-quinolinium; iodide (16025-99-3)

Guidance literature:

With pyridine; at 100 ℃; Behandeln mit Kaliumjodid;

Reference yield:

1-ethyl-2-methyl-1,2-dihydro-quinoline (16768-71-1) + 3-Ethylbenzothiazolium 2-sulfonate (50818-84-3) → 1-ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl)-quinolinium; iodide (16025-99-3)

Guidance literature:

With sodium iodide; In ethanol; for 1h; Heating;

Reference yield:

N-ethyl-2-methylbenzothiazolium iodide (3119-93-5) → 1-ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl)-quinolinium; iodide (16025-99-3)

Guidance literature:

With piperidine; ethanol;

upstream raw materials:

2-methylquinoline

2-(ethylthio)benzothiazole

ethyl ester of p-toluenesulfonic acid

3-ethyl-2-methylbenzothiazolium p-toluenesulfonate