Cas no 1246819-05-5 (Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate)
Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate
- ethyl 2-(3,5-dichloroquinolin-8-yl)oxyacetate
- 1246819-05-5
- DTXSID201244621
- DB-307907
- Ethyl 2-((3,5-dichloroquinolin-8-yl)oxy)acetate
- Ethyl 2-[(3,5-dichloro-8-quinolinyl)oxy]acetate
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- Inchi: 1S/C13H11Cl2NO3/c1-2-18-12(17)7-19-11-4-3-10(15)9-5-8(14)6-16-13(9)11/h3-6H,2,7H2,1H3
- InChI Key: ALLATOGUWSCHBO-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C2C1=CC(=CN=2)Cl)OCC(=O)OCC
Computed Properties
- Exact Mass: 299.0115986g/mol
- Monoisotopic Mass: 299.0115986g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 316
- 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: 3.7
- Topological Polar Surface Area: 48.4?2
Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E915925-100mg |
Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate |
1246819-05-5 | 100mg |
$1028.00 | 2023-05-18 | ||
| TRC | E915925-1g |
Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate |
1246819-05-5 | 1g |
$8197.00 | 2023-05-18 |
Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
Additional information on Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate
Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate: A Comprehensive Overview
Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate, with CAS No. 1246819-05-5, is a highly specialized organic compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is notable for its unique structure, which combines a quinoline ring system with ethoxy and acetate functionalities. The quinoline moiety, a heterocyclic aromatic compound, forms the core of this molecule, while the dichloro substitution pattern at positions 3 and 5 adds to its chemical complexity and potential biological activity.
The synthesis of Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate involves a series of precise chemical reactions, including nucleophilic substitution and esterification processes. The compound's structure is characterized by the presence of a chlorine atom at positions 3 and 5 of the quinoline ring, which contributes to its stability and reactivity. The ethoxy group attached to the quinoline ring further enhances its solubility in organic solvents, making it suitable for various applications in research and development.
Recent studies have highlighted the potential of Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate as a precursor for the development of novel pharmaceutical agents. Its biological activity has been explored in several in vitro assays, where it has shown promising results in inhibiting key enzymes associated with inflammatory diseases. The compound's ability to modulate cellular signaling pathways makes it a valuable tool in drug discovery efforts targeting conditions such as arthritis and neurodegenerative disorders.
In addition to its pharmacological applications, Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate has also found utility in materials science. Researchers have investigated its use as a building block for constructing advanced materials with tailored electronic properties. The compound's aromaticity and substituent effects make it an ideal candidate for designing molecules with specific photophysical properties, which could be exploited in optoelectronic devices.
The latest advancements in computational chemistry have further deepened our understanding of Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate's molecular behavior. Quantum mechanical calculations have revealed insights into its electronic structure and reactivity patterns, providing a foundation for rational drug design strategies. These studies underscore the importance of this compound as a versatile building block in modern chemical research.
In conclusion, Ethyl 2-(3,5-Dichloroquinolin-8-yloxy)acetate represents a fascinating example of how structural complexity can lead to diverse functional applications. Its unique combination of quinaldic acid derivatives, chlorine substitution, and ester functionalities positions it as a key molecule in both academic and industrial settings. As research continues to uncover new dimensions of its potential, this compound is poised to play an increasingly significant role in advancing scientific knowledge and technological innovation.
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