1-[4-(3-Aminophenyl)piperazin-1-yl]ethanone

Base Information

• Chemical Name: 1-[4-(3-Aminophenyl)piperazin-1-yl]ethanone
• CAS No.: 206879-65-4
• Molecular Formula: C12H17N3O
• Molecular Weight: 219.286
• Hs Code.: 2933599090
• European Community (EC) Number: 825-810-9
• DSSTox Substance ID: DTXSID40455838
• Wikidata: Q82277988
• Mol file: 206879-65-4.mol

Synonyms:206879-65-4;1-[4-(3-aminophenyl)piperazin-1-yl]ethanone;Ethanone, 1-[4-(3-aminophenyl)-1-piperazinyl]-;1-[4-(3-Aminophenyl)piperazin-1-yl]ethan-1-one;MFCD09757522;1-(4-(3-aminophenyl)piperazin-1-yl)ethanone;1-(4-(3-Aminophenyl)piperazin-1-yl)ethan-1-one;SCHEMBL2648561;TQR916;DTXSID40455838;ZDNZOUXIQFHVEP-UHFFFAOYSA-N;3-(1-acetylpiperazin-4-yl)aniline;BBL101858;STL555655;3-(4-Acetyl-1-piperazinyl)-aniline;AKOS005256303;MS-20299;A4492;FT-0604247;EN300-156924;1-[4-(3-Aminophenyl)-piperazin-1-yl]-ethanone;1-[4-(3-amino-phenyl)-piperazin-1-yl]-ethanone;Z376447274

Chemical Property of 1-[4-(3-Aminophenyl)piperazin-1-yl]ethanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 127-129 °C
• Refractive Index: 1.597
• Boiling Point: 462.414 °C at 760 mmHg
• PKA: 5.35±0.10(Predicted)
• Flash Point: 233.46 °C
• PSA: 49.57000
• Density: 1.177 g/cm³
• LogP: 1.52140
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 219.137162174
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

1-[4-(3-Aminophenyl)piperazin-1-yl]ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCN(CC1)C2=CC=CC(=C2)N

Technology Process of 1-[4-(3-Aminophenyl)piperazin-1-yl]ethanone

There total 4 articles about 1-[4-(3-Aminophenyl)piperazin-1-yl]ethanone 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: 100.0%

1-acetyl-4-(3-nitrophenyl)piperazine (314061-17-1) → 1-(4-(3-aminophenyl)piperazin-1-yl)ethanone (206879-65-4)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In ethanol; water;

Reference yield: 94.0%

3-(N-Morpholinomethyl)-1-nitrobenzene (123207-57-8) → 1-(4-(3-aminophenyl)piperazin-1-yl)ethanone (206879-65-4)

Guidance literature:

With hydrogen; palladium on activated carbon; In ethanol; for 2h; under 2585.81 Torr;

Reference yield:

3-nitro-aniline (99-09-2) → 1-(4-(3-aminophenyl)piperazin-1-yl)ethanone (206879-65-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: K₂CO₃ / chlorobenzene / 24 h / Heating

1.2: 76 percent / conc. HCl / acetone

2.1: 99 percent / acetic acid / methanol / 20 °C

3.1: 85 percent / Ni-Raney; N₂H₄*H₂O / methanol / 0 °C

With Ni-Raney; potassium carbonate; hydrazine hydrate; acetic acid; In methanol; chlorobenzene;

upstream raw materials:

1-acetyl-4-(3-nitrophenyl)piperazine

3-nitro-aniline

1-(3-nitrophenyl)piperazine monohydrochloride

3-(N-Morpholinomethyl)-1-nitrobenzene

Downstream raw materials:

1-(3-methanosulphonamidephenyl)piperazine

N-{3-[4-(3-benzo[b]thiophen-3-yl-3-oxo-propyl)-piperazin-1-yl]-phenyl}-methanesulfonamide

Ethyl 4-(3-(4-acetyl-1-piperazinyl)-phenyl)-amino-6-fluoro-3-nitrobenzoate

N-[3-(4-acetyl-piperazin-1-yl)-phenyl]-formamide