Cas no 1187169-29-4 (2-Chloro-5-(4-nitrobenzoyl)pyridine)
2-Chloro-5-(4-nitrobenzoyl)pyridine Chemical and Physical Properties
Names and Identifiers
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- 2-Chloro-5-(4-nitrobenzoyl)pyridine
- (6-Chloropyridin-3-yl)(4-nitrophenyl)methanone
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- MDL: MFCD13153361
- Inchi: 1S/C12H7ClN2O3/c13-11-6-3-9(7-14-11)12(16)8-1-4-10(5-2-8)15(17)18/h1-7H
- InChI Key: CIEWPFKUAQSEAG-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C=N1)C(C1C=CC(=CC=1)[N+](=O)[O-])=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 324
- Topological Polar Surface Area: 75.8
2-Chloro-5-(4-nitrobenzoyl)pyridine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 203552-2g |
2-Chloro-5-(4-nitrobenzoyl)pyridine |
1187169-29-4 | 97% | 2g |
£837.00 | 2022-03-01 | |
| Fluorochem | 203552-5g |
2-Chloro-5-(4-nitrobenzoyl)pyridine |
1187169-29-4 | 97% | 5g |
£1702.00 | 2022-03-01 | |
| TRC | C066550-250mg |
2-Chloro-5-(4-nitrobenzoyl)pyridine |
1187169-29-4 | 250mg |
$ 440.00 | 2022-06-06 | ||
| TRC | C066550-500mg |
2-Chloro-5-(4-nitrobenzoyl)pyridine |
1187169-29-4 | 500mg |
$ 735.00 | 2022-06-06 | ||
| Matrix Scientific | 086665-1g |
2-Chloro-5-(4-nitrobenzoyl)pyridine, 97% |
1187169-29-4 | 97% | 1g |
$517.00 | 2023-09-08 | |
| Matrix Scientific | 086665-2g |
2-Chloro-5-(4-nitrobenzoyl)pyridine, 97% |
1187169-29-4 | 97% | 2g |
$739.00 | 2023-09-08 | |
| Matrix Scientific | 086665-5g |
2-Chloro-5-(4-nitrobenzoyl)pyridine, 97% |
1187169-29-4 | 97% | 5g |
$1412.00 | 2023-09-08 | |
| abcr | AB363602-1 g |
2-Chloro-5-(4-nitrobenzoyl)pyridine, 97%; . |
1187169-29-4 | 97% | 1g |
€954.60 | 2023-04-26 | |
| abcr | AB363602-2 g |
2-Chloro-5-(4-nitrobenzoyl)pyridine, 97%; . |
1187169-29-4 | 97% | 2g |
€1400.00 | 2023-04-26 | |
| Fluorochem | 203552-1g |
2-Chloro-5-(4-nitrobenzoyl)pyridine |
1187169-29-4 | 97% | 1g |
£554.00 | 2022-03-01 |
2-Chloro-5-(4-nitrobenzoyl)pyridine Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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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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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
Additional information on 2-Chloro-5-(4-nitrobenzoyl)pyridine
Comprehensive Overview of 2-Chloro-5-(4-nitrobenzoyl)pyridine (CAS No. 1187169-29-4)
2-Chloro-5-(4-nitrobenzoyl)pyridine, with the CAS number 1187169-29-4, is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound belongs to the pyridine derivative family, characterized by its unique molecular structure combining a chloro-substituted pyridine ring and a 4-nitrobenzoyl moiety. Its structural complexity makes it a valuable intermediate in synthetic chemistry, particularly in the development of novel bioactive molecules.
In recent years, the demand for pyridine-based compounds has surged due to their versatile applications in drug discovery and material science. Researchers are increasingly exploring 2-Chloro-5-(4-nitrobenzoyl)pyridine for its potential role in designing kinase inhibitors and antimicrobial agents. The compound's nitrobenzoyl group enhances its reactivity, making it a preferred choice for cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig reactions, which are pivotal in modern organic synthesis.
The synthesis of CAS 1187169-29-4 typically involves multi-step organic reactions, including acylation and halogenation processes. One common method is the Friedel-Crafts acylation of 2-chloropyridine with 4-nitrobenzoyl chloride, followed by purification via column chromatography. The compound's purity and yield are critical factors for its application in high-value research, prompting advancements in green chemistry techniques to optimize its production.
From an industrial perspective, 2-Chloro-5-(4-nitrobenzoyl)pyridine is often discussed in the context of custom synthesis and contract manufacturing. Companies specializing in fine chemicals frequently list this compound in their catalogs, catering to the growing needs of academic and commercial laboratories. Its structure-activity relationship (SAR) studies are also a hot topic, as scientists aim to modify its framework to enhance bioactivity while minimizing side effects.
Environmental and regulatory considerations are another focal point for CAS 1187169-29-4. While the compound itself is not classified as hazardous under current guidelines, its derivatives must undergo rigorous toxicity testing and biodegradability assessments. This aligns with the broader trend of sustainable chemistry, where researchers prioritize eco-friendly alternatives and waste reduction strategies.
In the realm of computational chemistry, 2-Chloro-5-(4-nitrobenzoyl)pyridine serves as a model compound for molecular docking simulations. Its electron-rich aromatic system interacts with various biological targets, providing insights into drug-receptor binding mechanisms. Such studies are frequently published in journals focusing on medicinal chemistry and cheminformatics, further elevating the compound's scientific relevance.
For procurement purposes, suppliers emphasize the importance of certificates of analysis (CoA) and batch-to-batch consistency when offering CAS 1187169-29-4. Customers often search for terms like "high-purity 2-Chloro-5-(4-nitrobenzoyl)pyridine" or "bulk suppliers of nitrobenzoyl pyridines," reflecting the need for reliable sourcing in both small-scale and industrial applications.
Looking ahead, the future of 2-Chloro-5-(4-nitrobenzoyl)pyridine appears promising, with ongoing investigations into its role in catalysis and functional material design. As the scientific community continues to uncover its potential, this compound is poised to remain a key player in the advancement of specialty chemicals and innovative therapeutics.
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