1-Benzoylpiperazine

Base Information

• Chemical Name: 1-Benzoylpiperazine
• CAS No.: 13754-38-6
• Molecular Formula: C11H14N2O
• Molecular Weight: 190.245
• Hs Code.: 29339900
• European Community (EC) Number: 627-213-7,942-138-2
• DSSTox Substance ID: DTXSID30354043
• Nikkaji Number: J442.675D
• Wikidata: Q24007763
• ChEMBL ID: CHEMBL113624
• Mol file: 13754-38-6.mol

Synonyms:1-Benzoylpiperazine;13754-38-6;phenyl(piperazin-1-yl)methanone;N-Benzoylpiperazine;1-Benzoyl-piperazine;MFCD00810192;Piperazine, 1-benzoyl-;Phenyl-piperazin-1-yl-methanone;N-(Benzoyl)piperazine--d8;Phenyl(1-piperazinyl)methanone;CHEMBL113624;1-benzoyl piperazine;1-(phenylcarbonyl)piperazine;CBDivE_002980;benzoylpiperazine;benzoyl piperazine;Methanone, phenyl-1-piperazinyl-;mono-benzoylpiperazine;1-(benzoyl)piperazine;phenyl(piperazino)methanone;1-Benzoylpiperazine, 97%;Cambridge id 5108505;Oprea1_366770;phenyl-piperazin-yl-methanone;SCHEMBL28393;phenyl-piperazin-1-ylmethanone;phenylpiperazin-1-yl-methanone;AMY5267;DTXSID30354043;VUNXBQRNMNVUMV-UHFFFAOYSA-N;HMS1577E04;BDBM50004323;STL183156;AKOS000264124;CS-W002698;FS-1634;HY-W002698;SDCCGMLS-0064591.P001;SDCCGMLS-0064591.P002;AC-30665;BP-13021;SY016793;B3676;FT-0636957;EN300-30163;SR-01000391233;J-504235;SR-01000391233-1;Q24007763

Chemical Property of 1-Benzoylpiperazine

Chemical Property:

• Appearance/Colour: Yellow crystalline powder
• Vapor Pressure: 8.11E-05mmHg at 25°C
• Melting Point: 61-64 °C
• Boiling Point: 341.3 ºC at 760 mmHg
• PKA: 8.48±0.10(Predicted)
• Flash Point: 160.2 ºC
• PSA: 32.34000
• Density: 1.115 g/cm³
• LogP: 0.99870
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Soluble in water
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

1-BenzoylpiperazineZINE ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCN1)C(=O)C2=CC=CC=C2
• Description: Benzoylpiperazine (Item No. 24016) is an analytical reference standard categorized as a piperazine. This product is intended for research and forensic applications.

Technology Process of 1-Benzoylpiperazine

There total 55 articles about 1-Benzoylpiperazine 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: 98.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + (RS)-2-methylpiperazine (109-07-9) → N-Benzoylpiperazine (13754-38-6)

Guidance literature:

With sodium hydroxide; Et₂AlCl; Me₂AlCl; In dichloromethane;

Reference yield: 95.0%

N-benzoylpiperazine hydrochloride (56227-55-5,79332-89-1) → N-Benzoylpiperazine (13754-38-6)

Guidance literature:

With sodium hydroxide; In ethanol; for 1h;

DOI:10.1128/AAC.02103-20

Reference yield: 94.0%

4-benzoylpiperazine-1-carboxylic acid tert-butyl ester (77278-38-7) → N-Benzoylpiperazine (13754-38-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 6h;

DOI:10.1021/acs.jmedchem.9b00071

upstream raw materials:

piperazine

benzoyl chloride

O-benzoyl-NN-dimethyl-N'-(N-methyl-2,4-dinitroanilino)isourea

p-nitrophenylbenzoate

Downstream raw materials:

[4-(2-[1,3]dioxolan-2-yl-ethyl)-piperazin-1-yl]-phenyl-methanone

{4-[(E)-3-(2-Chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl-methanone

2-Amino-4-(4-benzoyl-piperazin-1-yl)-6-furan-2-yl-pyrimidine-5-carbonitrile

1-benzoyl-4-methylpiperazine

Refernces

• 1、 Um, Ik-Hwan,Kim, Min-Young,Lee, Jae-In. "Kinetic study on aminolysis of 4-pyridyl benzoate and O-4-pyridyl thionobenzoate in acetonitrile: Factors influencing reactivity and reaction mechanism". . p. 1577 - 1581. Retrieved 2016.
• 2、 Bojarski, Andrzej J.,Dehaen, Wim,Janousek, Jiri,Juza, Radomir,Karasova, Jana Zdarova,Kobrlova, Tereza,Korabecny, Jan,Kubacka, Monika,Mezeiova, Eva,Mogilski, Szczepan,Musilek, Kamil,Pejchal, Jaroslav,Petrasek, Tomas,Prchal, Lukas,Randakova, Alena,Satala, Grzegorz,Soukup, Ondrej,Stark, Holger,Stefkova-Mazochova, Kristyna,Svozil, Daniel,Vlcek, Premysl,Vojtechova, Iveta. "Novel D2/5-HT receptor modulators related to cariprazine with potential implication to schizophrenia treatment". supporting information. . Retrieved 2022/02/17.
• 3、 Long, Huan,Hu, Xiaolong,Wang, Baolin,Wang, Quan,Wang, Rong,Liu, Shumeng,Xiong, Fei,Jiang, Zhenzhou,Zhang, Xiao-Qi,Ye, Wen-Cai,Wang, Hao. "Discovery of Novel Apigenin-Piperazine Hybrids as Potent and Selective Poly (ADP-Ribose) Polymerase-1 (PARP-1) Inhibitors for the Treatment of Cancer". . p. 12089 - 12108. Retrieved 2021/09/06.