111752-26-2

Basic information

• Product Name: 1-(4-METHYL-BENZOYL)-PIPERAZINE
• Synonyms: 1-(4-METHYL-BENZOYL)-PIPERAZINE;AKOS BB-5566;(PIPERAZIN-1-YL)(P-TOLYL)METHANONE;1-(4-METHYL-BENZOYL)-PIPERAZINE >98%
• CAS NO: 111752-26-2
• Molecular Formula: C₁₂H₁₆N₂O
• Molecular Weight: 204.27
• Product Categories: piperazines
• Mol File: 111752-26-2.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 368.9 °C at 760 mmHg
• Flash Point: 176.9 °C
• Appearance: /
• Density: 1.093 g/cm³
• Vapor Pressure: 1.23E-05mmHg at 25°C
• Refractive Index: 1.553
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 8.39±0.10(Predicted)
• CAS DataBase Reference: 1-(4-METHYL-BENZOYL)-PIPERAZINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-METHYL-BENZOYL)-PIPERAZINE(111752-26-2)
• EPA Substance Registry System: 1-(4-METHYL-BENZOYL)-PIPERAZINE(111752-26-2)

Safety Data

• Hazardous Substances Data: 111752-26-2(Hazardous Substances Data)

Usage

General Description

1-(4-Methyl-benzoyl)-piperazine is a chemical compound that belongs to the class of piperazine derivatives. It is commonly used in the synthesis of various pharmaceutical drugs and agrochemicals. 1-(4-METHYL-BENZOYL)-PIPERAZINE has a molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. It is a white to off-white powder that is sparingly soluble in water. 1-(4-Methyl-benzoyl)-piperazine is known for its potential use as a reagent in organic synthesis and as an intermediate in the production of various compounds. It is important to handle this compound with caution and use appropriate safety measures, as it may be harmful if ingested, inhaled, or absorbed through the skin.

InChI:InChI=1/C12H16N2O/c1-10-2-4-11(5-3-10)12(15)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3

Upstream product

• 110-89-4 piperidine 
• 99-94-5 p-Toluic acid 
• 110-85-0 piperazine 
• 104-87-0 4-methyl-benzaldehyde 
• 874-60-2 4-methyl-benzoyl chloride 
• 1073190-54-1 tert-butyl 4-(4-methylphenylcarbonyl)piperazine-1-carboxylate 
• 39248-99-2 S-(4-nitrophenyl) 4-methylbenzothioate 
• 22044-09-3 piperazinium 
• 35539-23-2 S-2,4-dinitrophenyl 4-methylthiobenzoate 
• 78823-38-8 p-toluic pivalic anhydride 
• 15023-67-3 4-nitrophenyl 4-methylbenzoate 
• 36106-76-0 2,4-dinitrophenyl 4-methylbenzoate 

Downstream Products

• 1226894-85-4 N-{[1-(2-(4-(4-methylbezoyl)piperazine-1-yl)ethyl)-pyrrolidine-(3R)-yl-carbamoyl]-methyl}-3-trifluoromethylbenzamide 
• 1622867-08-6 C₂₆H₂₄N₄O₃S 
• 23173-57-1 1-(4-methylbenzyl)piperazine 
• 435345-17-8 1-(4-methylbenzyl)piperazine hydrochloride 
• 1593953-87-7 (4-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl)(p-tolyl)methanone 
• 1593954-24-5 C₂₀H₁₉N₇O 
• 1314133-66-8 4-methyl-7-{4-[4-(4-methylphenyl)piperazin-1-yl]butoxy}-2H-chromen-2-one 
• 914772-90-0 4-methyl-7-{2-[4-(4-methylbenzoyl)piperazin-1-yl]ethoxy}-2H-chromen-2-one 
• 1075248-07-5 C₂₂H₂₀N₂O₄ 

Relevant articles and documents

Highly rapid and direct synthesis of monoacylated piperazine derivatives from carboxylic acids under mild conditions

A series of monoacylated piperazine derivatives were obtained by the reaction of carboxylic acids with 2-chloro-4,6-dimethoxy-1,3,5-triazine in dichloromethane at room temperature. Good to excellent yields, short reaction times and mild reaction conditions are important features of this methodology.

Kinetics and mechanism of the reactions of S-2,4-dinitrophenyl 4-substituted thiobenzoates with secondary alicyclic amines

The title reactions, in 44 wt % ethanol-water at 25.0 °C, exhibit slightly curved Bronsted-type plots (log kN versus pK a of amines) with slopes β1 = 0.1-0.44 (at high pKa) and β2 ca. 0.7 (at low pKa). The magnitude of some of these slopes, together with the fact that the curvature center (pKa0 = 9.5-10.8) does not change with the electronic effects of the benzoyl substituent, suggests that these reactions are not stepwise, but concerted.

Discovery of novel Bcr-AblT315I inhibitors with flexible linker. Part 1: Confirmation optimization of phenyl-1H-indazol-3-amine as hinge binding moiety

As a continuation to our research, a series of novel Bcr-Abl inhibitors incorporated with 6-phenyl-1H-indazol-3-amine as hinge binding moiety (HBM) were developed based on confirmation analysis. Biological results indicated that these compounds exhibited an enhanced inhibition against Bcr-AblWT and Bcr-AblT315I in kinases assays, along with improved anti-proliferative activities in K562 cell assays. In particular, compound Y9 displayed comparable potency with that of imatinib. It potently inhibited Bcr-AblWT and Bcr-AblT315I kinases with IC50 of 0.043 μM and 0.17 μM, respectively. Furthermore, compound Y9 inhibited the proliferation of K562 and K562R cells with IC50 of 1.65 μM and 5.42 μM, respectively. Therefore, 6-phenyl-1H-indazol-3amine as HBM, combined with flexible linker, is a successful strategy contribute to research on T315I mutant resistance, and compound Y9 could be served as a starting point for further optimization.

NMR-based investigations of acyl-functionalized piperazines concerning their conformational behavior in solution

Selected N-benzoylated piperazine compounds were synthesized to study their conformational behavior using temperature-dependent 1H NMR spectroscopy. All investigated piperazines occur as conformers at room temperature resulting from the restric

Synthesis and biological evaluation of substituted 4-(thiophen-2-ylmethyl)- 2H-phthalazin-1-ones as potent PARP-1 inhibitors

We have developed a series of substituted 4-(thiophen-2-ylmethyl)-2H- phthalazin-1-ones as potent PARP-1 inhibitors. Preliminary biological evaluation indicated that most compounds possessed inhibitory potencies comparable to, or higher than AZD-2281. Among these compounds, 18q appeared to be the most notable one, which displayed an 8-fold improvement in enzymatic activity compared to AZD-2281. These efforts lay the foundation for our further investigation.