Cas no 1020998-62-2 (2-Chloro-6-ethoxybenzoic acid)
2-Chloro-6-ethoxybenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-Chloro-6-ethoxybenzoic acid
- MFCD11156593
- AKOS000264408
- 1020998-62-2
- 2-CHLORO-6-ETHOXYBENZOICACID
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- MDL: MFCD11156593
- Inchi: 1S/C9H9ClO3/c1-2-13-7-5-3-4-6(10)8(7)9(11)12/h3-5H,2H2,1H3,(H,11,12)
- InChI Key: NQYCWKVXKAVSAC-UHFFFAOYSA-N
- SMILES: C(O)(=O)C1=C(OCC)C=CC=C1Cl
Computed Properties
- Exact Mass: 200.024022g/mol
- Monoisotopic Mass: 200.024022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 184
- 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
- Molecular Weight: 200.62g/mol
- XLogP3: 1.6
- Topological Polar Surface Area: 46.5?2
2-Chloro-6-ethoxybenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 053857-2.500g |
2-Chloro-6-ethoxybenzoic acid |
1020998-62-2 | 2.500g |
$1250.00 | 2023-09-10 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 053857-500mg |
2-Chloro-6-ethoxybenzoic acid |
1020998-62-2 | 500mg |
5282CNY | 2021-05-07 | ||
| Matrix Scientific | 053857-500mg |
2-Chloro-6-ethoxybenzoic acid |
1020998-62-2 | 500mg |
$325.00 | 2023-09-10 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 053857-500mg |
2-Chloro-6-ethoxybenzoic acid |
1020998-62-2 | 500mg |
5282.0CNY | 2021-07-05 |
2-Chloro-6-ethoxybenzoic acid Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
Additional information on 2-Chloro-6-ethoxybenzoic acid
Introduction to 2-Chloro-6-ethoxybenzoic acid (CAS No. 1020998-62-2)
2-Chloro-6-ethoxybenzoic acid, with the chemical formula C?H?ClO?, is a significant compound in the field of pharmaceutical and chemical research. This benzoic acid derivative features a chloro substituent at the 2-position and an ethoxy group at the 6-position, which contribute to its unique reactivity and potential applications. The compound is identified by its CAS number, 1020998-62-2, which distinguishes it from other benzoic acid derivatives and ensures precise identification in scientific literature and industrial processes.
The synthesis of 2-Chloro-6-ethoxybenzoic acid typically involves the chlorination of ethyl 6-hydroxybenzoate or through direct functionalization of m-chloroethylbenzene. The presence of both electron-withdrawing and electron-donating groups makes this compound a versatile intermediate in organic synthesis. Its structural properties allow for further derivatization, making it valuable in the development of pharmaceuticals, agrochemicals, and specialty chemicals.
In recent years, 2-Chloro-6-ethoxybenzoic acid has garnered attention in medicinal chemistry due to its potential as a precursor for biologically active molecules. Researchers have explored its utility in designing novel compounds with therapeutic properties. For instance, studies have demonstrated its role in synthesizing inhibitors targeting various enzymatic pathways. The chloro and ethoxy substituents enhance the compound's ability to interact with biological targets, making it a promising candidate for drug discovery.
One of the most compelling aspects of 2-Chloro-6-ethoxybenzoic acid is its application in the synthesis of heterocyclic compounds. Heterocycles are essential motifs in many pharmacologically active agents, and 2-Chloro-6-ethoxybenzoic acid serves as a key building block. By incorporating this compound into larger molecular frameworks, chemists can create complex structures with tailored biological activities. This has led to several innovative approaches in developing treatments for diseases such as cancer, inflammation, and infectious disorders.
The pharmaceutical industry has been particularly interested in 2-Chloro-6-ethoxybenzoic acid due to its potential as a scaffold for drug development. Researchers have leveraged its structural features to design molecules that modulate signaling pathways involved in disease progression. For example, derivatives of this compound have been investigated for their anti-inflammatory properties, suggesting that they may interfere with key inflammatory mediators. Such findings highlight the importance of 2-Chloro-6-ethoxybenzoic acid in advancing therapeutic strategies.
Moreover, the agrochemical sector has also explored the applications of 2-Chloro-6-ethoxybenzoic acid. Its derivatives exhibit herbicidal and fungicidal activities, making them valuable in crop protection formulations. By modifying its structure, chemists can optimize its efficacy against specific pests or pathogens while minimizing environmental impact. This aligns with the growing demand for sustainable agricultural practices and underscores the versatility of 2-Chloro-6-ethoxybenzoic acid.
The chemical reactivity of 2-Chloro-6-ethoxybenzoic acid allows for diverse functionalization strategies. It can undergo nucleophilic aromatic substitution reactions, forming new aromatic compounds with altered properties. Additionally, it can be converted into esters or amides, expanding its utility in synthetic chemistry. These transformations make it an indispensable tool for researchers aiming to develop novel molecules with specific functionalities.
Recent advancements in computational chemistry have further enhanced the understanding of 2-Chloro-6-ethoxybenzoic acid's reactivity and applications. Molecular modeling techniques predict how this compound interacts with biological targets, providing insights into its potential therapeutic effects. Such computational approaches complement experimental studies and accelerate the discovery process, enabling faster development of new drugs and agrochemicals.
The environmental impact of synthesizing and using 2-Chloro-6-ethoxybenzoic acid is also a critical consideration. Efforts are underway to develop greener synthetic routes that minimize waste and reduce energy consumption. These sustainable practices ensure that the production of this compound remains environmentally responsible while meeting the demands of industrial applications.
In conclusion, 2-Chloro-6-ethoxybenzoic acid (CAS No. 1020998-62-2) is a multifaceted compound with significant potential in pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structural features enable diverse applications, from drug development to crop protection formulations. As research continues to uncover new uses for this compound, it will remain a cornerstone of chemical innovation.
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