Cas no 209412-04-4 (6-chloro-a-(4-fluorophenyl)-3-Pyridazineacetonitrile)
6-chloro-a-(4-fluorophenyl)-3-Pyridazineacetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 6-chloro-a-(4-fluorophenyl)-3-Pyridazineacetonitrile
- 209412-04-4
- SCHEMBL12139914
- 2-(6-Chloropyridazin-3-yl)-2-(4-fluorophenyl)acetonitrile, AldrichCPR
- MFCD09475511
- 2-(6-chloropyridazin-3-yl)-2-(4-fluorophenyl)acetonitrile
-
- MDL: MFCD09475511
- Inchi: 1S/C12H7ClFN3/c13-12-6-5-11(16-17-12)10(7-15)8-1-3-9(14)4-2-8/h1-6,10H
- InChI Key: LNBFRLKKHZPRRS-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C(C#N)C2C=CC(=CC=2)F)N=N1
Computed Properties
- Exact Mass: 247.0312531Da
- Monoisotopic Mass: 247.0312531Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 295
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 49.6?2
6-chloro-a-(4-fluorophenyl)-3-Pyridazineacetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB200908-500 mg |
2-(6-Chloropyridazin-3-yl)-2-(4-fluorophenyl)acetonitrile; . |
209412-04-4 | 500 mg |
€39.30 | 2023-07-20 | ||
| abcr | AB200908-500mg |
2-(6-Chloropyridazin-3-yl)-2-(4-fluorophenyl)acetonitrile; . |
209412-04-4 | 500mg |
€42.00 | 2025-02-17 |
6-chloro-a-(4-fluorophenyl)-3-Pyridazineacetonitrile Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
Additional information on 6-chloro-a-(4-fluorophenyl)-3-Pyridazineacetonitrile
6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile: A Comprehensive Overview
6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile, identified by the CAS registry number 209412-04-4, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound belongs to the class of pyridazine derivatives, which are known for their diverse biological activities and potential applications in drug discovery. The structure of this compound features a pyridazine ring system substituted with a chlorine atom at position 6 and a cyano group at position 3, along with a fluorophenyl group attached to position a. These substituents contribute to its unique chemical properties and reactivity.
The synthesis of 6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile typically involves multi-step organic reactions, including nucleophilic substitution, electrophilic substitution, and coupling reactions. Recent advancements in synthetic methodologies have enabled the efficient construction of such complex heterocyclic compounds. Researchers have explored various catalysts and reaction conditions to optimize the yield and purity of this compound, making it more accessible for further studies.
One of the most promising applications of this compound lies in its potential as a pharmacological agent. Pyridazine derivatives are known to exhibit various biological activities, including anti-inflammatory, antitumor, and antimicrobial properties. Recent studies have focused on evaluating the cytotoxic effects of 6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile against cancer cell lines. Preliminary results indicate that this compound demonstrates selective cytotoxicity, suggesting its potential as a lead molecule for anticancer drug development.
In addition to its pharmacological applications, this compound has also been studied for its electronic properties. The presence of electron-withdrawing groups such as chlorine and cyano groups on the pyridazine ring enhances its electron-deficient nature, making it a candidate for use in organic electronics. Researchers have investigated its ability to act as an electron acceptor in donor-acceptor systems, which is crucial for applications in organic photovoltaics and light-emitting diodes (OLEDs). These studies highlight the versatility of 6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile across multiple disciplines.
The structural uniqueness of this compound also makes it an attractive target for mechanistic studies in organic chemistry. The influence of substituents on the reactivity and selectivity of pyridazine derivatives has been extensively studied. For instance, the fluorophenyl group at position a introduces steric hindrance and electronic effects that can modulate the reactivity of the molecule during various transformations. Understanding these effects is essential for designing more efficient synthetic routes and optimizing the properties of related compounds.
Recent advances in computational chemistry have provided deeper insights into the electronic structure and reactivity of 6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile. Quantum mechanical calculations have been employed to predict its frontier molecular orbitals, which are critical for understanding its participation in chemical reactions. These computational studies complement experimental findings and aid in rationalizing observed trends in reactivity.
In conclusion, 6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile, with its unique structure and diverse properties, continues to be a focal point in contemporary chemical research. Its potential applications span across pharmacology, materials science, and organic electronics, making it a valuable compound for further exploration. As research progresses, new insights into its properties and applications are expected to emerge, solidifying its importance in both academic and industrial settings.
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