3-(2-(4-Fluorophenyl)-2-oxoethylidene)-1-methylpiperazinone

Base Information

• Chemical Name: 3-(2-(4-Fluorophenyl)-2-oxoethylidene)-1-methylpiperazinone
• CAS No.: 178408-19-0
• Molecular Formula: C₁₃H₁₃FN₂O₂
• Molecular Weight: 248.257
• Mol file: 178408-19-0.mol

Synonyms:178408-19-0;3-(2-(4-Fluorophenyl)-2-oxoethylidene)-1-methylpiperazinone;Piperazinone, 3-(2-(4-fluorophenyl)-2-oxoethylidene)-1-methyl-;(3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one;(3Z)-3-[2-(4-FLUOROPHENYL)-2-OXO-ETHYLIDENE]-1-METHYL-PIPERAZIN-2-ONE;LS-113828

Chemical Property of 3-(2-(4-Fluorophenyl)-2-oxoethylidene)-1-methylpiperazinone

Chemical Property:

• Vapor Pressure: 5.69E-08mmHg at 25°C
• Boiling Point: 440.9°Cat760mmHg
• Flash Point: 220.4°C
• PSA: 49.41000
• Density: 1.3g/cm³
• LogP: 1.22060
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 248.09610582
• Heavy Atom Count: 18
• Complexity: 373

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCNC(=CC(=O)C2=CC=C(C=C2)F)C1=O
• Isomeric SMILES: CN1CCN/C(=C\C(=O)C2=CC=C(C=C2)F)/C1=O

Technology Process of 3-(2-(4-Fluorophenyl)-2-oxoethylidene)-1-methylpiperazinone

There total 1 articles about 3-(2-(4-Fluorophenyl)-2-oxoethylidene)-1-methylpiperazinone 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: 90.0%

4-(4-fluorophenyl)-4-oxo-2-hydroxy-2-butenoic acid methyl ester (41167-60-6) + N-methyl-ethane-1,2-diamine (109-81-9) → 3-[2-(4-Fluoro-phenyl)-2-oxo-eth-(E)-ylidene]-1-methyl-piperazin-2-one (178408-19-0)

Guidance literature:

In ethanol; acetic acid; for 1.5h;

DOI:10.1007/BF02219701

upstream raw materials:

4-(4-fluorophenyl)-4-oxo-2-hydroxy-2-butenoic acid methyl ester

N-methyl-ethane-1,2-diamine

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