Cas no 1017513-51-7 (5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid)
5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-(3,4-difluorophenyl)isoxazole-3-carboxylic acid
- 5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
- F2158-0578
- SBB079035
- STL213203
- SY268041
- ALBB-035274
- DTXSID20652803
- EN300-238078
- DB-295676
- 5-(3,4-difluorophenyl)isoxazole-3-carboxylicacid
- NS-02800
- AKOS002657720
- SCHEMBL11902348
- 1017513-51-7
- 3-isoxazolecarboxylic acid, 5-(3,4-difluorophenyl)-
- GUQAHOANQYNQHL-UHFFFAOYSA-N
- MFCD07377121
-
- MDL: MFCD07377121
- Inchi: 1S/C10H5F2NO3/c11-6-2-1-5(3-7(6)12)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
- InChI Key: GUQAHOANQYNQHL-UHFFFAOYSA-N
- SMILES: FC1=C(C=CC(=C1)C1=CC(C(=O)O)=NO1)F
Computed Properties
- Exact Mass: 225.02374935g/mol
- Monoisotopic Mass: 225.02374935g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 277
- 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: 2.1
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- Density: 1.5±0.1 g/cm3
- Melting Point: NA
- Boiling Point: 430.7±45.0 °C at 760 mmHg
- Flash Point: 214.3±28.7 °C
- Vapor Pressure: 0.0±1.1 mmHg at 25°C
5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D449383-10mg |
5-(3,4-Difluorophenyl)-1,2-oxazole-3-carboxylic Acid |
1017513-51-7 | 10mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D449383-50mg |
5-(3,4-Difluorophenyl)-1,2-oxazole-3-carboxylic Acid |
1017513-51-7 | 50mg |
$ 70.00 | 2022-06-05 | ||
| TRC | D449383-100mg |
5-(3,4-Difluorophenyl)-1,2-oxazole-3-carboxylic Acid |
1017513-51-7 | 100mg |
$ 95.00 | 2022-06-05 | ||
| eNovation Chemicals LLC | Y1197495-1g |
5-(3,4-Difluorophenyl)isoxazole-3-carboxylic Acid |
1017513-51-7 | 95% | 1g |
$1085 | 2024-07-19 | |
| Chemenu | CM470588-250mg |
5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid |
1017513-51-7 | 95%+ | 250mg |
$536 | 2023-01-08 | |
| Chemenu | CM470588-1g |
5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid |
1017513-51-7 | 95%+ | 1g |
$1023 | 2023-01-08 | |
| abcr | AB424329-1 g |
5-(3,4-Difluorophenyl)-1,2-oxazole-3-carboxylic acid; 95% |
1017513-51-7 | 1 g |
€694.20 | 2023-07-18 | ||
| eNovation Chemicals LLC | D631016-100mg |
5-(3,4-difluorophenyl)isoxazole-3-carboxylic acid |
1017513-51-7 | 95% | 100mg |
$435 | 2024-08-03 | |
| eNovation Chemicals LLC | D631016-1g |
5-(3,4-difluorophenyl)isoxazole-3-carboxylic acid |
1017513-51-7 | 95% | 1g |
$865 | 2024-08-03 | |
| Enamine | EN300-238078-0.05g |
5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid |
1017513-51-7 | 95% | 0.05g |
$60.0 | 2024-06-19 |
5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
Additional information on 5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
Comprehensive Overview of 5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid (CAS No. 1017513-51-7)
5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid (CAS No. 1017513-51-7) is a fluorinated heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features and potential applications. This compound belongs to the oxazole family, a class of five-membered heterocycles containing oxygen and nitrogen atoms, which are widely recognized for their bioactivity and versatility in drug design. The presence of the 3,4-difluorophenyl moiety further enhances its physicochemical properties, making it a valuable intermediate in synthetic chemistry.
In recent years, the demand for fluorinated organic compounds like 5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid has surged, driven by their role in the development of novel therapeutics and specialty chemicals. Researchers are particularly interested in its potential as a building block for kinase inhibitors, anti-inflammatory agents, and antimicrobial drugs. The compound's carboxylic acid functionality allows for further derivatization, enabling the creation of esters, amides, and other derivatives with tailored properties. This adaptability aligns with the growing trend of structure-activity relationship (SAR) studies in medicinal chemistry.
The synthesis of CAS No. 1017513-51-7 typically involves multi-step organic reactions, including cyclization and fluorination processes. Advanced techniques such as microwave-assisted synthesis and flow chemistry have been explored to optimize its production, addressing the need for greener and more efficient synthetic routes. These innovations resonate with the broader scientific community's focus on sustainable chemistry and process intensification, which are frequently searched topics in academic and industrial circles.
From an analytical perspective, 5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid is characterized using techniques like nuclear magnetic resonance (NMR), high-performance liquid chromatography (HPLC), and mass spectrometry (MS). These methods ensure high purity and confirm the structural integrity of the compound, which is critical for its application in high-value industries. The compound's stability under various conditions is also a subject of ongoing research, as it impacts its storage, handling, and formulation in end-use products.
In the context of drug discovery, CAS No. 1017513-51-7 has been investigated for its potential to modulate biological targets such as enzymes and receptors. Its fluorine atoms contribute to enhanced binding affinity and metabolic stability, properties highly sought after in modern pharmacophores. This aligns with the increasing popularity of fluorine in drug design, a topic frequently queried in scientific databases and forums. Additionally, the compound's oxazole core is known to participate in hydrogen bonding and π-π stacking interactions, further expanding its utility in molecular recognition.
Beyond pharmaceuticals, 5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid finds applications in material science, particularly in the development of organic electronic materials and liquid crystals. Its conjugated system and polar functional groups make it a candidate for optoelectronic devices, a field experiencing rapid growth due to the demand for renewable energy technologies. This interdisciplinary relevance underscores the compound's versatility and aligns with trending searches on advanced materials and green technology.
In summary, 5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid (CAS No. 1017513-51-7) represents a compelling example of how fluorinated heterocycles can bridge the gap between fundamental research and industrial applications. Its multifaceted properties and adaptability to various synthetic strategies make it a valuable asset in the toolkit of chemists and researchers worldwide. As the scientific community continues to explore its potential, this compound is poised to play a pivotal role in addressing some of the most pressing challenges in healthcare, agriculture, and sustainable technology.
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