Ethyl 1-{5-cyano-3-[(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl}piperidine-4-carboxylate

Base Information

• Chemical Name: Ethyl 1-{5-cyano-3-[(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl}piperidine-4-carboxylate
• CAS No.: 7063-81-2
• Molecular Formula: C33H48N4O4S2
• Molecular Weight: 628.8886
• DSSTox Substance ID: DTXSID70414377

Synonyms:7063-81-2;DTXSID70414377;Ethyl 1-{5-cyano-3-[(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl}piperidine-4-carboxylate

Chemical Property of Ethyl 1-{5-cyano-3-[(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl}piperidine-4-carboxylate

Chemical Property:

• Vapor Pressure: 7.64E-15mmHg at 25°C
• Boiling Point: 610.5°Cat760mmHg
• Flash Point: 323°C
• Density: 1.21g/cm³
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 17
• Exact Mass: 628.31169837
• Heavy Atom Count: 43
• Complexity: 1190

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)CC)N3CCC(CC3)C(=O)OCC)SC1=S

Technology Process of Ethyl 1-{5-cyano-3-[(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl}piperidine-4-carboxylate

There total 2 articles about Ethyl 1-{5-cyano-3-[(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl}piperidine-4-carboxylate 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:

2,2,6-trimethylcyclohexanone oxime (7063-80-1) + trifluoroacetic acid (76-05-1) → 2,6-Dimethyl-6-trifluoracetoxy-heptanohydroxamsaeure (7063-81-2)

Guidance literature:

With lead(IV) acetate;

DOI:10.1016/S0040-4039(00)75674-7

Reference yield:

2,2,6-Trimethylcyclohexanon-oxim (7063-80-1) + trifluoroacetic acid (76-05-1) → 2,6-Dimethyl-6-trifluoracetoxy-heptanohydroxamsaeure (7063-81-2)

Guidance literature:

With lead(IV) acetate;

DOI:10.1139/v70-158

upstream raw materials:

2,2,6-Trimethylcyclohexanon-oxim

trifluoroacetic acid

2,2,6-trimethylcyclohexanone oxime

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