Cas no 321531-57-1 (4-Chloro-3-nitro-N-n-propylbenzamide)
4-Chloro-3-nitro-N-n-propylbenzamide Chemical and Physical Properties
Names and Identifiers
-
- 4-Chloro-3-nitro-N-n-propylbenzamide
- 4-Chloro-3-nitro-N-n-propylbenzamide,97%
- Oprea1_039585
- STK018210
- SCHEMBL7491797
- 4-chloro-3-nitro-N-propylbenzamide
- CS-0333040
- AKOS000148501
- 321531-57-1
-
- Inchi: 1S/C10H11ClN2O3/c1-2-5-12-10(14)7-3-4-8(11)9(6-7)13(15)16/h3-4,6H,2,5H2,1H3,(H,12,14)
- InChI Key: ZGGRHAZHLVGWPF-UHFFFAOYSA-N
- SMILES: C(NCCC)(=O)C1=CC=C(Cl)C([N+]([O-])=O)=C1
Computed Properties
- Exact Mass: 242.0458199g/mol
- Monoisotopic Mass: 242.0458199g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 267
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 74.9?2
4-Chloro-3-nitro-N-n-propylbenzamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1403710-250mg |
4-Chloro-3-nitro-N-propylbenzamide |
321531-57-1 | 98% | 250mg |
¥2433.00 | 2024-08-02 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1403710-1g |
4-Chloro-3-nitro-N-propylbenzamide |
321531-57-1 | 98% | 1g |
¥8366.00 | 2024-08-02 |
4-Chloro-3-nitro-N-n-propylbenzamide Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
Additional information on 4-Chloro-3-nitro-N-n-propylbenzamide
Introduction to 4-Chloro-3-nitro-N-n-propylbenzamide (CAS No. 321531-57-1)
4-Chloro-3-nitro-N-n-propylbenzamide, identified by its Chemical Abstracts Service (CAS) number 321531-57-1, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the class of nitroaromatic amides, characterized by the presence of both chloro and nitro substituents on a benzene ring, which are flanked by an N-n-propyl amide group. The unique structural features of this molecule make it a promising candidate for further exploration in drug discovery and development.
The synthesis of 4-Chloro-3-nitro-N-n-propylbenzamide involves a multi-step process that typically begins with the nitration of chlorobenzene derivatives, followed by selective functional group transformations to introduce the amide moiety. The presence of both electron-withdrawing nitro and electron-donating chloro groups on the aromatic ring imparts distinct reactivity and interaction potential with biological targets. This makes the compound an intriguing subject for studying its pharmacological properties and potential applications in therapeutic interventions.
In recent years, there has been growing interest in exploring the pharmacological profile of nitroaromatic compounds due to their ability to modulate various biological pathways. The nitro group in 4-Chloro-3-nitro-N-n-propylbenzamide can undergo reduction to form hydroxylamine derivatives, which are known to exhibit significant biological activity. This redox-active property has been exploited in several research studies aimed at developing novel antimicrobial and anti-inflammatory agents. Additionally, the amide functionality provides a site for further derivatization, allowing chemists to tailor the compound’s properties for specific therapeutic needs.
One of the most compelling aspects of 4-Chloro-3-nitro-N-n-propylbenzamide is its potential as a scaffold for drug design. The combination of chloro and nitro substituents on the benzene ring creates a highly reactive system that can interact with enzymes and receptors in complex ways. This has led to investigations into its role as an intermediate in synthesizing more complex molecules with enhanced pharmacological activity. Researchers have been particularly interested in its potential applications in oncology, where such compounds may serve as inhibitors of key enzymes involved in cancer cell proliferation.
The chemical stability and solubility profile of 4-Chloro-3-nitro-N-n-propylbenzamide are also critical factors that influence its suitability for pharmaceutical applications. Studies have shown that this compound exhibits moderate solubility in organic solvents, which facilitates its use in various synthetic protocols. However, further optimization may be required to improve its water solubility, which is often essential for effective drug delivery systems. Advances in crystal engineering and molecular encapsulation techniques may offer solutions to enhance the bioavailability and pharmacokinetic properties of this compound.
Recent advancements in computational chemistry have enabled researchers to predict the binding affinities and interaction patterns of 4-Chloro-3-nitro-N-n-propylbenzamide with biological targets with greater accuracy. Molecular docking studies have revealed that this compound can bind effectively to several protein targets, including those involved in metabolic pathways and signal transduction cascades. These findings provide a strong rationale for further investigating its potential as a lead compound in drug discovery programs targeting neurological disorders, inflammatory diseases, and infectious pathogens.
The synthesis and characterization of 4-Chloro-3-nitro-N-n-propylbenzamide have also contributed to our understanding of how structural modifications can influence the pharmacological properties of nitroaromatic compounds. By systematically varying substituent groups and functional moieties, chemists can fine-tune the activity profiles of these molecules. This approach has been successful in identifying derivatives with improved selectivity and reduced toxicity, which are crucial factors for successful drug development.
In conclusion, 4-Chloro-3-nitro-N-n-propylbenzamide (CAS No. 321531-57-1) represents a promising candidate for further exploration in pharmaceutical research. Its unique structural features, combined with its reactivity and potential biological activity, make it an attractive molecule for developing novel therapeutic agents. As research continues to uncover new applications for this compound, it is likely that it will play an increasingly important role in addressing unmet medical needs across various therapeutic areas.
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