5-({3-[(2-Chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1-propyl-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile

Base Information

• Chemical Name: 5-({3-[(2-Chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1-propyl-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
• CAS No.: 7064-09-7
• Molecular Formula: C25H25ClN4O2S2
• Molecular Weight: 513.0746
• DSSTox Substance ID: DTXSID90414410

Synonyms:7064-09-7;DTXSID90414410;5-({3-[(2-Chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1-propyl-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile

Chemical Property of 5-({3-[(2-Chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1-propyl-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile

Chemical Property:

• Vapor Pressure: 1.49E-11mmHg at 25°C
• Boiling Point: 535.8°Cat760mmHg
• Flash Point: 277.8°C
• Density: 1.42g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 512.1107461
• Heavy Atom Count: 34
• Complexity: 1030

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3Cl)N4CCCC4

Technology Process of 5-({3-[(2-Chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1-propyl-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile

There total 2 articles about 5-({3-[(2-Chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1-propyl-6-(pyrrolidin-1-yl)-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:

2-(3-methyl-5-isoxazolyl)-2-propanol (138958-55-1) → 5-isopropenyl-3-methyl-isoxazole (7064-09-7)

Guidance literature:

With phosphorus pentoxide;

Reference yield:

acetohydroximoyl chloride (683-58-9) + 2-methylbut-1-en-3-yne (78-80-8) → 5-isopropenyl-3-methyl-isoxazole (7064-09-7)

Guidance literature:

Multistep reaction; (i) Et₃N, Et₂O, (ii) /BRN= 969175/;

Reference yield:

5-isopropenyl-3-methyl-isoxazole (7064-09-7) → 5-acetyl-3-methylisoxazole (55086-61-8)

Guidance literature:

With potassium permanganate; sulfuric acid;

upstream raw materials:

2-(3-methyl-5-isoxazolyl)-2-propanol

acetohydroximoyl chloride

2-methylbut-1-en-3-yne

Downstream raw materials:

5-acetyl-3-methylisoxazole

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