Cas no 763109-73-5 (5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid)
5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid
- 3-?Isoxazolecarboxylic acid, 5-?(2,?4-?dichloro-?5-?fluorophenyl)?-
- 5-(2,4-dichloro-5-fluorophenyl)-3-Isoxazolecarboxylic acid
- C10H4Cl2FNO3
- 5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazole-3-carboxylic acid
- 5682AH
- TRA0071894
- SY015192
- BC1397361
- AX8269069
- 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylicAcid
- AKOS017560550
- MFCD06199330
- CS-0206976
- FT-0749584
- A865506
- 5-(2 pound not4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic Acid
- DTXSID501193342
- AS-32641
- 763109-73-5
- DA-18233
-
- MDL: MFCD06199330
- Inchi: 1S/C10H4Cl2FNO3/c11-5-2-6(12)7(13)1-4(5)9-3-8(10(15)16)14-17-9/h1-3H,(H,15,16)
- InChI Key: GYGRZIHMRZATQY-UHFFFAOYSA-N
- SMILES: ClC1C=C(C(=CC=1C1=CC(C(=O)O)=NO1)F)Cl
Computed Properties
- Exact Mass: 274.955
- Monoisotopic Mass: 274.955
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 307
- 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
- Topological Polar Surface Area: 63.3
- XLogP3: 3.2
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.6±0.1 g/cm3
- Melting Point: No data available
- Boiling Point: 459.5±45.0 °C at 760 mmHg
- Flash Point: 231.7±28.7 °C
- Vapor Pressure: 0.0±1.2 mmHg at 25°C
5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid Security Information
- Signal Word:Warning
- Hazard Statement: H302 (100%)
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction: H302 (100%)
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
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| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D851893-5g |
5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic Acid |
763109-73-5 | ≥97% | 5g |
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763109-73-5 | 95% | 5g |
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| TRC | D435768-25mg |
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763109-73-5 | 25mg |
$75.00 | 2023-05-18 | ||
| TRC | D435768-50mg |
5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic Acid |
763109-73-5 | 50mg |
$110.00 | 2023-05-18 | ||
| TRC | D435768-100mg |
5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic Acid |
763109-73-5 | 100mg |
$184.00 | 2023-05-18 | ||
| Chemenu | CM190950-25g |
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763109-73-5 | 95%+ | 25g |
$*** | 2023-05-29 | |
| eNovation Chemicals LLC | D691076-1g |
5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic Acid |
763109-73-5 | >97% | 1g |
$130 | 2024-07-20 | |
| eNovation Chemicals LLC | D691076-5g |
5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic Acid |
763109-73-5 | >97% | 5g |
$385 | 2024-07-20 | |
| eNovation Chemicals LLC | D256382-1g |
5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic Acid |
763109-73-5 | 97% | 1g |
$313 | 2023-08-31 | |
| abcr | AB452107-1 g |
5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid; . |
763109-73-5 | 1g |
€244.20 | 2023-06-15 |
5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic 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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
Additional information on 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid
Introduction to 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid (CAS No. 763109-73-5)
5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid is a significant compound in the realm of pharmaceutical chemistry, recognized for its versatile applications in medicinal research and drug development. This compound, identified by the CAS number 763109-73-5, belongs to the isoxazole class of heterocyclic organic compounds, which have garnered considerable attention due to their structural flexibility and biological activity. The presence of both chloro and fluoro substituents in its aromatic ring enhances its pharmacological potential, making it a valuable scaffold for designing novel therapeutic agents.
The structural motif of 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid consists of an isoxazole ring linked to a carboxylic acid functional group, with a substituted phenyl ring at the 5-position. This configuration allows for multiple points of chemical modification, enabling researchers to fine-tune its properties for specific biological targets. The dichloro and fluoro groups contribute to the compound's lipophilicity and metabolic stability, which are critical factors in drug design.
In recent years, there has been a surge in research focusing on isoxazole derivatives due to their demonstrated efficacy in various therapeutic areas. Studies have highlighted the potential of this class of compounds in addressing neurological disorders, infectious diseases, and cancer. The unique electronic properties imparted by the halogen substituents make 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid particularly interesting for further exploration.
One of the most compelling aspects of 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid is its role as a key intermediate in synthesizing more complex molecules. Researchers have leveraged this compound to develop novel inhibitors targeting enzymes involved in critical biological pathways. For instance, its derivatives have shown promise in inhibiting kinases and other enzymes implicated in cancer progression. The carboxylic acid moiety provides a handle for further functionalization via esterification or amidation, expanding its utility in drug discovery.
The pharmaceutical industry has increasingly recognized the importance of halogenated aromatic compounds due to their enhanced binding affinity and selectivity. The dichloro and fluoro substituents in 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid contribute to these desirable properties by improving interactions with biological targets. This has led to several preclinical studies investigating its potential as a lead compound for drug development.
Advances in computational chemistry have further accelerated the exploration of 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid. Molecular modeling techniques have been employed to predict its binding modes with various protein targets, aiding in the rational design of more potent derivatives. These computational approaches complement experimental efforts, providing a holistic strategy for optimizing the compound's pharmacological profile.
The synthesis of 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid involves multi-step organic reactions that require precise control over reaction conditions. Key steps typically include halogenation of the phenyl ring followed by cyclization to form the isoxazole core. The introduction of the carboxylic acid group at the 3-position is achieved through oxidation or hydrolysis techniques. These synthetic pathways highlight the compound's complexity and the expertise required for its preparation.
Recent publications have demonstrated the utility of 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid in developing novel antiviral agents. Its structural features allow it to interact with viral enzymes essential for replication, offering a promising avenue for combating infectious diseases. Additionally, its potential as an anti-inflammatory agent has been explored, with preliminary studies suggesting its ability to modulate inflammatory pathways.
The versatility of 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid extends beyond pharmaceutical applications. It has also been investigated for use in agrochemicals and material science due to its ability to act as a building block for more complex molecules. This broad utility underscores its significance as a chemical entity with far-reaching implications.
In conclusion, 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid (CAS No. 763109-73-5) represents a fascinating compound with substantial potential in medicinal chemistry and beyond. Its unique structural features and biological activity make it a valuable asset in drug discovery efforts aimed at addressing various diseases. As research continues to uncover new applications for this compound, 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid is poised to play an increasingly important role in advancing therapeutic solutions.
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