1-(4-Acetylphenyl)piperazine

Base Information

• Chemical Name: 1-(4-Acetylphenyl)piperazine
• CAS No.: 51639-48-6
• Molecular Formula: C12H16N2O
• Molecular Weight: 204.272
• Hs Code.: 29335990
• European Community (EC) Number: 257-332-6
• NSC Number: 109890
• DSSTox Substance ID: DTXSID00199584
• Nikkaji Number: J333F
• Wikidata: Q83072488
• ChEMBL ID: CHEMBL166330
• Mol file: 51639-48-6.mol

Synonyms:51639-48-6;1-(4-acetylphenyl)piperazine;1-(4-(piperazin-1-yl)phenyl)ethanone;4'-Piperazinoacetophenone;1-(4-piperazin-1-ylphenyl)ethanone;4-piperazinoacetophenone;Piperazin-4-ylacetophenone;MFCD00005962;1-(4-Piperazin-1-yl-phenyl)-ethanone;Ethanone, 1-[4-(1-piperazinyl)phenyl]-;p-Piperazinoacetophenone;1-(4-(piperazin-1-yl)phenyl)ethan-1-one;1-(4-Piperazin-1-yl-phenyl)ethanone;1-(p-acetylphenyl)piperazine;CHEMBL166330;EINECS 257-332-6;1-[4-(piperazin-1-yl)phenyl]ethanone;1-[4-(piperazin-1-yl)phenyl]ethan-1-one;Ethanone, 1-(4-(1-piperazinyl)phenyl)-;4'-(1-piperazinyl)acetophenone;NSC109890;4-piperazino acetophenone;4'-piperazino-acetophenone;n-(4-acetylphenyl)piperazine;4-(4-acetylphenyl)piperazine;BIDD:GT0584;SCHEMBL232986;1-(4-Acetyl-phenyl)piperazine;1-(4-acetylphenyl) piperazine;1-(4-acetylphenyl)-piperazine;4'-Piperazinoacetophenone, 94%;AMY5264;DTXSID00199584;STR06370;BDBM50001899;STK400476;AKOS000120540;NSC 109890;NSC-109890;1-(4-piperazine-1-yl-phenyl)-ethanone;1-[4-(1-Piperazinyl)phenyl]ethanone #;TS-02904;1-[4-(1-Piperazinyl)phenyl]-1-ethanone;CS-0119947;FT-0617368;SR-01000059922;SR-01000059922-1;Z57042073;F2190-0511

Chemical Property of 1-(4-Acetylphenyl)piperazine

Chemical Property:

• Appearance/Colour: yellow powder or chunks
• Vapor Pressure: 4.73E-06mmHg at 25°C
• Melting Point: 107-110 °C(lit.)
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 382.4 °C at 760 mmHg
• PKA: 8.80±0.10(Predicted)
• Flash Point: 185.1 °C
• PSA: 32.34000
• Density: 1.079 g/cm³
• LogP: 1.69260
• Storage Temp.: 2-8°C
• Solubility.: Benzene (Slightly, Heated), Chloroform (Slightly), DMSO (Slightly, Heated)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.126263138
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-[4-(1-Piperazinyl)phenyl]ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-34-21/22
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)N2CCNCC2
• Uses: 1-[4-(1-Piperazinyl)phenyl]ethanone is a useful building block for organic synthesis.

Technology Process of 1-(4-Acetylphenyl)piperazine

There total 4 articles about 1-(4-Acetylphenyl)piperazine 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: 84.0%

piperazine (110-85-0) + 1-(4-fluorophenyl)ethanone (403-42-9) → 4'-piperazinoacetophenone (51639-48-6)

Guidance literature:

In dimethyl sulfoxide; at 110 ℃; for 24h;

DOI:10.1021/acs.jmedchem.7b00189

Reference yield: 58.5%

p-aminobenzophenone (99-92-3) + N,N-bis(chloro-2-ethyl)amine (334-22-5) → 4'-piperazinoacetophenone (51639-48-6)

Guidance literature:

for 0.05h; Irradiation;

DOI:10.1016/S0040-4039(97)01583-9

Reference yield: 49.0%

piperazine (110-85-0) + para-chloroacetophenone (99-91-2) → 4'-piperazinoacetophenone (51639-48-6)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; potassium carbonate; In dimethyl sulfoxide; Heating;

DOI:10.1016/S0040-4039(99)01103-X

upstream raw materials:

p-aminobenzophenone

N,N-bis(chloro-2-ethyl)amine

piperazine

para-chloroacetophenone

Refernces

• 1、 Ahmed, Marwa F.,El-Haggar, Radwan,Santali, Eman Y.. "Novel piperazine–chalcone hybrids and related pyrazoline analogues targeting VEGFR-2 kinase; design, synthesis, molecular docking studies, and anticancer evaluation". . p. 307 - 318. Retrieved 2021.
• 2、 Liu, Feng,Dawadi, Surendra,Maize, Kimberly M.,Dai, Ran,Park, Sae Woong,Schnappinger, Dirk,Finzel, Barry C.,Aldrich, Courtney C.. "Structure-Based Optimization of Pyridoxal 5′-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis". . p. 5507 - 5520. Retrieved 2017/07/22.