(5Z)-3-ethyl-5-[2-(1-ethylquinolin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Base Information

• Chemical Name: (5Z)-3-ethyl-5-[2-(1-ethylquinolin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• CAS No.: 23350-56-3
• Molecular Formula: C18H18 N2 O S2
• Molecular Weight: 342.486
• DSSTox Substance ID: DTXSID9066881
• Mol file: 23350-56-3.mol

Synonyms:DTXSID9066881

Chemical Property of (5Z)-3-ethyl-5-[2-(1-ethylquinolin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Chemical Property:

• Vapor Pressure: 1.61E-08mmHg at 25°C
• Melting Point: 239-240 °C (decomp)
• Boiling Point: 456.5°Cat760mmHg
• PKA: 0.14±0.20(Predicted)
• Flash Point: 229.9°C
• PSA: 82.63000
• Density: 1.33g/cm³
• LogP: 3.42480
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 342.08605555
• Heavy Atom Count: 23
• Complexity: 594

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=CC=C2C(=O)N(C(=S)S2)CC)C=CC3=CC=CC=C31
• Isomeric SMILES: CCN1C(=C/C=C\2/C(=O)N(C(=S)S2)CC)C=CC3=CC=CC=C31

Technology Process of (5Z)-3-ethyl-5-[2-(1-ethylquinolin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

There total 5 articles about (5Z)-3-ethyl-5-[2-(1-ethylquinolin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one 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-ethylrhodanin (7648-01-3) + 1-ethyl-2-(β-anilinovinyl)-quinolinium iodide (53724-80-4) → 3-ethyl-5-[2-(1-ethyl-1H-quinolin-2-ylidene)-ethylidene]-2-thioxo-thiazolidin-4-one (23350-56-3)

Guidance literature:

With sodium acetate; acetic anhydride;

DOI:10.1021/ja01155a095

Reference yield:

N-(3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidenemethyl)-N-phenylacetamide (3747-06-6) + 1-ethyl-2-methylquinolinium toluene-p-sulphonate (20048-92-4) → 3-ethyl-5-[2-(1-ethyl-1H-quinolin-2-ylidene)-ethylidene]-2-thioxo-thiazolidin-4-one (23350-56-3)

Guidance literature:

With triethylamine; In ethanol; Heating;

Reference yield:

1-ethyl-2-methylquinolinium iodide (606-55-3) → 3-ethyl-5-[2-(1-ethyl-1H-quinolin-2-ylidene)-ethylidene]-2-thioxo-thiazolidin-4-one (23350-56-3)

Guidance literature:

Multi-step reaction with 2 steps

2: pyridine; piperidine

With piperidine; pyridine;

upstream raw materials:

3-ethylrhodanin

2-[2-(N-acetyl-anilino)-vinyl]-1-ethyl-quinolinium; iodide

1-ethyl-2-(β-anilinovinyl)-quinolinium iodide

N-(3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidenemethyl)-N-phenylacetamide

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