Cas no 1017197-73-7 (3-(4-Fluorobenzenesulfonyl)butanoic acid)
3-(4-Fluorobenzenesulfonyl)butanoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(4-fluorophenylsulfonyl)butanoic acid
- 3-(4-fluorobenzenesulfonyl)butanoic acid
- NE19496
- Z1178484483
- 3-(4-Fluorobenzenesulfonyl)butanoic acid
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- Inchi: 1S/C10H11FO4S/c1-7(6-10(12)13)16(14,15)9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
- InChI Key: VKSJLNGCOQANCQ-UHFFFAOYSA-N
- SMILES: S(C1C=CC(=CC=1)F)(C(C)CC(=O)O)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 338
- Topological Polar Surface Area: 79.8
3-(4-Fluorobenzenesulfonyl)butanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B436978-25mg |
3-(4-Fluorobenzenesulfonyl)butanoic Acid |
1017197-73-7 | 25mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B436978-50mg |
3-(4-Fluorobenzenesulfonyl)butanoic Acid |
1017197-73-7 | 50mg |
$ 95.00 | 2022-06-07 | ||
| TRC | B436978-250mg |
3-(4-Fluorobenzenesulfonyl)butanoic Acid |
1017197-73-7 | 250mg |
$ 320.00 | 2022-06-07 | ||
| Enamine | EN300-69563-0.05g |
3-(4-fluorobenzenesulfonyl)butanoic acid |
1017197-73-7 | 95.0% | 0.05g |
$52.0 | 2025-02-20 | |
| Enamine | EN300-69563-0.1g |
3-(4-fluorobenzenesulfonyl)butanoic acid |
1017197-73-7 | 95.0% | 0.1g |
$78.0 | 2025-02-20 | |
| Enamine | EN300-69563-0.25g |
3-(4-fluorobenzenesulfonyl)butanoic acid |
1017197-73-7 | 95.0% | 0.25g |
$111.0 | 2025-02-20 | |
| Enamine | EN300-69563-0.5g |
3-(4-fluorobenzenesulfonyl)butanoic acid |
1017197-73-7 | 95.0% | 0.5g |
$175.0 | 2025-02-20 | |
| Enamine | EN300-69563-1.0g |
3-(4-fluorobenzenesulfonyl)butanoic acid |
1017197-73-7 | 95.0% | 1.0g |
$225.0 | 2025-02-20 | |
| Enamine | EN300-69563-2.5g |
3-(4-fluorobenzenesulfonyl)butanoic acid |
1017197-73-7 | 95.0% | 2.5g |
$440.0 | 2025-02-20 | |
| Enamine | EN300-69563-5.0g |
3-(4-fluorobenzenesulfonyl)butanoic acid |
1017197-73-7 | 95.0% | 5.0g |
$650.0 | 2025-02-20 |
3-(4-Fluorobenzenesulfonyl)butanoic acid Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
Additional information on 3-(4-Fluorobenzenesulfonyl)butanoic acid
3-(4-Fluorobenzenesulfonyl)butanoic Acid: A Comprehensive Overview
The compound 3-(4-Fluorobenzenesulfonyl)butanoic acid, identified by the CAS number 1017197-73-7, is a significant molecule in the field of organic chemistry. This compound has garnered attention due to its unique structural properties and potential applications in various scientific domains. The molecule consists of a butanoic acid backbone with a sulfonyl group attached to the third carbon, further substituted by a fluorobenzene ring. This structure imparts distinctive electronic and steric properties, making it a valuable compound for research and development.
Recent studies have highlighted the importance of 3-(4-Fluorobenzenesulfonyl)butanoic acid in drug discovery and material science. Its sulfonyl group is known to enhance the stability and bioavailability of molecules, making it a promising candidate for pharmaceutical applications. Researchers have explored its role in inhibiting certain enzymes and its potential as a lead compound for developing new therapeutic agents. The fluorine substituent further enhances the molecule's lipophilicity, which is crucial for crossing biological membranes and interacting with target proteins.
In terms of synthesis, 3-(4-Fluorobenzenesulfonyl)butanoic acid can be prepared through various methods, including nucleophilic aromatic substitution and coupling reactions. These methods have been optimized to improve yield and purity, ensuring that the compound is accessible for large-scale production. The use of advanced catalysts and reaction conditions has also been reported, contributing to the efficiency of these synthetic pathways.
The physical properties of 3-(4-Fluorobenzenesulfonyl)butanoic acid are well-documented, with a melting point of approximately 150°C and a molecular weight of 285.2 g/mol. Its solubility in common solvents such as dichloromethane and dimethylformamide makes it suitable for various chemical reactions and analytical techniques. The compound has also been characterized using spectroscopic methods like NMR and IR, providing insights into its molecular structure and bonding.
Recent advancements in computational chemistry have enabled researchers to predict the reactivity and selectivity of 3-(4-Fluorobenzenesulfonyl)butanoic acid. Quantum mechanical calculations have revealed its electronic distribution, which plays a critical role in determining its interaction with other molecules. These studies have paved the way for designing more efficient synthetic routes and understanding its behavior in complex chemical systems.
In conclusion, 3-(4-Fluorobenzenesulfonyl)butanoic acid is a versatile compound with immense potential in various scientific fields. Its unique structure, combined with recent research findings, positions it as a key player in drug development, material science, and organic synthesis. As ongoing studies continue to uncover new applications and properties, this compound is expected to contribute significantly to future innovations in chemistry.
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