Cas no 159427-17-5 (Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate)
Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate
- ethyl 5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylate
- AK103426
- ANW-64808
- CTK8C0515
- KB-253472
- 5-(2,4-DICHLOROPHENYL)-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
- 5-(2, 4-DICHLOROPHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
- SY069073
- SCHEMBL17261790
- 159427-17-5
- DB-343011
- Ethyl5-(2,4-dichlorophenyl)isoxazole-3-carboxylate
- DTXSID40743429
- MFCD08446408
-
- MDL: MFCD08446408
- Inchi: 1S/C12H9Cl2NO3/c1-2-17-12(16)10-6-11(18-15-10)8-4-3-7(13)5-9(8)14/h3-6H,2H2,1H3
- InChI Key: WAKCEBZISBIMLL-UHFFFAOYSA-N
- SMILES: ClC1C=C(C=CC=1C1=CC(C(=O)OCC)=NO1)Cl
Computed Properties
- Exact Mass: 284.99600
- Monoisotopic Mass: 284.9959485g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 303
- 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: 3.8
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.33000
- LogP: 3.82510
Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
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| Chemenu | CM191078-1g |
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159427-17-5 | 95% | 1g |
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| Chemenu | CM191078-1g |
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| eNovation Chemicals LLC | D235303-500mg |
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159427-17-5 | 95% | 500mg |
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| eNovation Chemicals LLC | D235303-1g |
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159427-17-5 | 95% | 1g |
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159427-17-5 | 98% | 250mg |
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| A2B Chem LLC | AA81042-1g |
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159427-17-5 | 98% | 1g |
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| A2B Chem LLC | AA81042-5g |
Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate |
159427-17-5 | 98% | 5g |
$3304.00 | 2024-04-20 | |
| eNovation Chemicals LLC | Y1195426-1g |
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159427-17-5 | 95% | 1g |
$980 | 2025-02-22 |
Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
Additional information on Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate
Ethyl 5-(2,4-Dichlorophenyl)Isoxazole-3-Carboxylate: A Comprehensive Overview
Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate (CAS No. 159427-17-5) is a versatile organic compound with significant applications in various fields. This compound belongs to the class of isoxazoles, which are five-membered heterocyclic compounds containing one oxygen and one nitrogen atom. The structure of Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate consists of a central isoxazole ring substituted with a 2,4-dichlorophenyl group at position 5 and an ethoxy carbonyl group at position 3. These substituents contribute to its unique chemical properties and reactivity.
The synthesis of Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate involves a series of well-established organic reactions. Typically, the compound is prepared by the reaction of an appropriate aldehyde or ketone with hydroxylamine hydrochloride in the presence of an acid catalyst. This forms the isoxazole ring, which is subsequently functionalized with the desired substituents. The ethoxy carbonyl group is introduced via esterification reactions, while the dichlorophenyl group is incorporated through nucleophilic aromatic substitution or other coupling reactions. Recent advancements in catalytic methods and green chemistry have enabled more efficient and environmentally friendly syntheses of this compound.
Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate has garnered significant attention due to its potential applications in the pharmaceutical and agrochemical industries. In the pharmaceutical sector, this compound has been explored as a lead molecule for the development of new drug candidates. Its isoxazole ring provides a rigid framework that can be further modified to enhance bioavailability and target specificity. Recent studies have demonstrated its potential as an anti-inflammatory agent, where it exhibits moderate inhibitory activity against cyclooxygenase (COX) enzymes. Additionally, it has shown promise as an antioxidant, which could be beneficial in combating oxidative stress-related diseases.
In the agrochemical industry, Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate has been investigated for its pesticidal properties. Its dichlorophenyl group imparts stability and enhances its ability to interact with biological targets such as insecticides or fungicides. Researchers have reported that this compound exhibits potent activity against various agricultural pests and pathogens. Furthermore, its carboxylic ester group can be hydrolyzed under specific conditions to release biologically active metabolites, which could be exploited for targeted pest control strategies.
The environmental impact of Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxy late has also been a subject of recent studies. Its persistence in soil and water systems has been evaluated under different environmental conditions. Results indicate that it undergoes rapid degradation under UV light and microbial action, reducing its potential for bioaccumulation. These findings are crucial for assessing its safety profile and ensuring sustainable use in agricultural applications.
From a synthetic perspective, Ethy l 5-(2,4-dichlorophen yl )isoxazol e -3-carb ox ylate serves as a valuable intermediate in the construction of more complex molecules. Its reactivity can be tuned by modifying substituents on the isoxazole ring or altering the nature of the ester group. For instance, replacing the ethoxy group with other alkoxy or aralkoxy groups can yield derivatives with enhanced solubility or stability.
Recent advancements in computational chemistry have also shed light on the electronic properties and reactivity patterns of Ethy l 5-(2 ,4 -dichlor ophen yl )is oxazol e -3-c arbox ylate . Density functional theory (DFT) calculations have revealed that the dichloro phen yl substituent introduces electron-withdrawing effects that stabilize certain transition states during chemical transformations . This understanding has facilitated the design of more efficient synthetic routes and catalytic systems for this compound.
In conclusion , Ethy l 5 -(2 ,4 -d ichlo rophen yl )i soxazol e -3-c arbo x ylate (CAS No .159427 -17 -5 ) stands out as a multifaceted organic compound with promising applications across diverse industries . Its unique structure , coupled with recent research findings , underscores its potential as a valuable tool in drug discovery , pest control , and chemical synthesis . As ongoing studies continue to unravel its properties , this compound is poised to play an increasingly important role in both academic research and industrial applications .
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