Ethyl 1-(4-oxo-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxylate

Base Information

• Chemical Name: Ethyl 1-(4-oxo-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxylate
• CAS No.: 7061-41-8
• Molecular Formula: C₁₈H₈N₆O₄
• Molecular Weight: 372.299
• DSSTox Substance ID: DTXSID10414073

Synonyms:7061-41-8;DTXSID10414073;Ethyl 1-(4-oxo-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxylate

Chemical Property of Ethyl 1-(4-oxo-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxylate

Chemical Property:

• Vapor Pressure: 1.31E-17mmHg at 25°C
• Boiling Point: 666.1°C at 760 mmHg
• Flash Point: 356.6°C
• Density: 1.36g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 487.16781085
• Heavy Atom Count: 35
• Complexity: 829

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCN(CC1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC=NC=C4)C5=CC=CC=C5)S2

Technology Process of Ethyl 1-(4-oxo-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxylate

There total 4 articles about Ethyl 1-(4-oxo-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-4,5-dihydro-1,3-thiazol-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:

p-nitrobenzene iodide (636-98-6) → 1,2-bis(p-nitrophenyl)-1,1,2,2-tetracyanoethane (7061-41-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / copper(I)iodide / hexamethylphosphoric acid triamide / 10 h / 85 °C

2: nitric acid / CH₂Cl₂

With nitric acid; sodium hydride; copper(l) iodide; In N,N,N,N,N,N-hexamethylphosphoric triamide; dichloromethane;

DOI:10.1246/bcsj.61.501

Reference yield:

2-(4-nitrophenyl)malononitrile (7077-65-8) → 1,2-bis(p-nitrophenyl)-1,1,2,2-tetracyanoethane (7061-41-8)

Guidance literature:

With nitric acid; In dichloromethane;

DOI:10.1246/bcsj.61.501

Reference yield:

C9H4N3O2(1-)*K(1+) (20394-72-3) → 1,2-bis(p-nitrophenyl)-1,1,2,2-tetracyanoethane (7061-41-8)

Guidance literature:

With Tritolylcarbenium tetrafluoroborate; Ambient temperature;

DOI:10.1016/S0040-4039(00)86253-X

upstream raw materials:

2-(4-nitrophenyl)malononitrile

C₉H₄N₃O₂^(1-)*K⁽¹⁺⁾

p-nitrobenzene iodide

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