6-(4-Ethylpiperazin-1-yl)-1,4-dimethyl-5-[(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile

Base Information

• Chemical Name: 6-(4-Ethylpiperazin-1-yl)-1,4-dimethyl-5-[(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile
• CAS No.: 7063-20-9
• Molecular Formula: C26H37N5O2S2
• Molecular Weight: 176.08
• DSSTox Substance ID: DTXSID20414302

Synonyms:7063-20-9;DTXSID20414302;6-(4-Ethylpiperazin-1-yl)-1,4-dimethyl-5-[(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile

Chemical Property of 6-(4-Ethylpiperazin-1-yl)-1,4-dimethyl-5-[(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile

Chemical Property:

• Vapor Pressure: 6.15E-11mmHg at 25°C
• Boiling Point: 520.6°Cat760mmHg
• Flash Point: 268.6°C
• Density: 1.26g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 515.23886779
• Heavy Atom Count: 35
• Complexity: 999

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)CC)SC1=S

Technology Process of 6-(4-Ethylpiperazin-1-yl)-1,4-dimethyl-5-[(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile

There total 1 articles about 6-(4-Ethylpiperazin-1-yl)-1,4-dimethyl-5-[(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile 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:

malonic acid dimethyl ester (108-59-8) → sodium 2,2-dimethylmalonate (7063-20-9)

Guidance literature:

With nitrogen; In toluene; mineral oil;

Reference yield: 73.0%

5-chloro-6-(2-chloro-4-nitro-phenyl)-7-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine + sodium 2,2-dimethylmalonate (7063-20-9) → 5-methyl-6-(2-chloro-4-nitro-phenyl)-7-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Guidance literature:

With hydrogenchloride; In acetonitrile;

Reference yield:

2,4-dichloronitrobenzene (611-06-3) + dimethyl 5-chloro-2-nitrophenyl malonate + dimethyl 3-chloro-4-nitrophenyl malonate + sodium 2,2-dimethylmalonate (7063-20-9) + malonic acid dimethyl ester (108-59-8) → 2-oxoindole (59-48-3)

Guidance literature:

With hydrogenchloride; sodium methylate; In N-methyl-acetamide; methanol;

upstream raw materials:

malonic acid dimethyl ester

Downstream raw materials:

2-oxoindole

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