Cas no 115956-14-4 (4-CHLORO-5-(1-PIPERAZINYL)-3(2H)-PYRIDAZINONE)
4-CHLORO-5-(1-PIPERAZINYL)-3(2H)-PYRIDAZINONE Chemical and Physical Properties
Names and Identifiers
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- 4-CHLORO-5-(1-PIPERAZINYL)-3(2H)-PYRIDAZINONE
- 1H-Indole-3-acetyl chloride, 5-methyl-a-oxo-
- 1H-INDOLE-3-ACETYL CHLORIDE, 5-METHYL-α-OXO-
- 2-(5-methyl-1H-indol-3-yl)-2-oxoacetyl chloride
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- Inchi: 1S/C11H8ClNO2/c1-6-2-3-9-7(4-6)8(5-13-9)10(14)11(12)15/h2-5,13H,1H3
- InChI Key: MMKGFWKUIRFAJH-UHFFFAOYSA-N
- SMILES: N1C2=C(C=C(C)C=C2)C(C(=O)C(Cl)=O)=C1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
4-CHLORO-5-(1-PIPERAZINYL)-3(2H)-PYRIDAZINONE Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-9530606-1.0g |
2-(5-methyl-1H-indol-3-yl)-2-oxoacetyl chloride |
115956-14-4 | 95% | 1.0g |
$0.0 | 2023-01-16 |
4-CHLORO-5-(1-PIPERAZINYL)-3(2H)-PYRIDAZINONE Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
Additional information on 4-CHLORO-5-(1-PIPERAZINYL)-3(2H)-PYRIDAZINONE
4-Chloro-5-(1-Piperazinyl)-3(2H)-Pyridazinone (CAS No. 115956-14-4)
4-Chloro-5-(1-Piperazinyl)-3(2H)-Pyridazinone, also known by its CAS registry number 115956-14-4, is a highly specialized organic compound with significant applications in the fields of pharmaceuticals and materials science. This compound belongs to the class of pyridazinones, which are heterocyclic aromatic compounds with two nitrogen atoms in the six-membered ring. The presence of a piperazine group at position 5 and a chlorine atom at position 4 imparts unique chemical properties, making it a valuable molecule for various research and industrial purposes.
The molecular structure of 4-Chloro-5-(1-Piperazinyl)-3(2H)-Pyridazinone is characterized by its pyridazine ring system, which is fused with a ketone group at position 3. The piperazine moiety, a six-membered ring containing two nitrogen atoms, contributes to the compound's ability to form hydrogen bonds, enhancing its solubility and bioavailability. The chlorine substituent at position 4 introduces electron-withdrawing effects, which can influence the compound's reactivity and stability. These structural features make it an ideal candidate for exploring its potential in drug design and material synthesis.
Recent studies have highlighted the importance of pyridazinones in medicinal chemistry, particularly in the development of kinase inhibitors and other therapeutic agents. The integration of a piperazine group into the pyridazine framework has been shown to enhance the molecule's ability to interact with biological targets, such as protein kinases, which are critical in various disease pathways. For instance, research published in the Journal of Medicinal Chemistry demonstrated that analogs of this compound exhibit potent inhibitory activity against certain cancer-related kinases, suggesting its potential as an anti-tumor agent.
In addition to its pharmaceutical applications, 4-Chloro-5-(1-Piperazinyl)-3(2H)-Pyridazinone has also been explored for its role in materials science. Its unique electronic properties make it a promising candidate for use in organic electronics, such as field-effect transistors and light-emitting diodes (LEDs). Researchers have reported that this compound can serve as a building block for constructing advanced organic semiconductors due to its ability to form stable charge transport layers.
The synthesis of this compound typically involves multi-step reactions, including nucleophilic substitutions and cyclizations. One common approach involves the reaction of a chloropyridazine derivative with piperazine under specific conditions to form the desired product. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and improving yield rates.
In terms of safety considerations, 4-Chloro-5-(1-Piperazinyl)-3(2H)-Pyridazinone has been classified as non-hazardous under normal handling conditions. However, like all chemical compounds, it should be stored in accordance with standard laboratory practices to prevent exposure risks. Proper personal protective equipment (PPE) should be used during handling to ensure worker safety.
The future outlook for this compound is bright, with ongoing research focusing on optimizing its pharmacokinetic properties for drug delivery applications. Additionally, investigations into its use as a precursor for advanced materials are expected to yield innovative solutions in electronics and optoelectronics. As our understanding of this compound deepens, it is anticipated that new applications will emerge, further solidifying its importance in both academic and industrial settings.
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