Cas no 1956318-15-2 (Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate)
Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate
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- Inchi: 1S/C9H10ClF3N2O2/c1-2-17-8(16)6-5-14-15(7(6)10)4-3-9(11,12)13/h5H,2-4H2,1H3
- InChI Key: OBKORRTUBFHQMZ-UHFFFAOYSA-N
- SMILES: ClC1=C(C(=O)OCC)C=NN1CCC(F)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 276
- XLogP3: 2.8
- Topological Polar Surface Area: 44.1
Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FC11554-5g |
ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate |
1956318-15-2 | 95% | 5g |
$1550 | 2023-09-07 | |
| Chemenu | CM513279-1g |
Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate |
1956318-15-2 | 97% | 1g |
$667 | 2022-06-12 |
Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
Additional information on Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate
Comprehensive Overview of Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate (CAS No. 1956318-15-2)
Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate (CAS No. 1956318-15-2) is a highly specialized chemical compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and material science. This pyrazole derivative is characterized by its unique molecular structure, which includes a trifluoropropyl group and a chloro substituent, making it a valuable intermediate in synthetic chemistry. Researchers and industry professionals are increasingly interested in this compound due to its potential applications in drug discovery and crop protection.
The compound's CAS number 1956318-15-2 serves as a critical identifier in chemical databases, ensuring precise tracking and regulatory compliance. Its systematic name, Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate, reflects its structural complexity and functional groups, which are pivotal for its reactivity and utility. The presence of the trifluoromethyl group enhances the compound's lipophilicity, a property highly sought after in the design of bioactive molecules.
In recent years, the demand for fluorinated pyrazole derivatives has surged, driven by their role in developing novel therapeutics and agrochemicals. The 5-chloro-1H-pyrazole core of this compound is particularly noteworthy, as it is a common scaffold in medicinal chemistry. This structural motif is frequently explored for its potential to modulate biological targets, such as enzymes and receptors, making it a hot topic in drug discovery and precision agriculture.
From a synthetic perspective, Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate is often synthesized via multi-step organic reactions, including condensation and cyclization processes. Its ethyl ester functionality provides a versatile handle for further derivatization, enabling chemists to tailor its properties for specific applications. This adaptability has made it a subject of interest in high-throughput screening and combinatorial chemistry.
The compound's relevance extends to the agrochemical sector, where pyrazole-based compounds are widely used as herbicides, insecticides, and fungicides. The incorporation of a trifluoropropyl group enhances the compound's stability and bioavailability, key factors in developing next-generation crop protection agents. As sustainability becomes a global priority, researchers are exploring eco-friendly synthesis routes for such compounds, aligning with the principles of green chemistry.
In the pharmaceutical industry, CAS No. 1956318-15-2 is being investigated for its potential as a building block in small-molecule drugs. Its ability to interact with biological systems makes it a candidate for treating various conditions, although detailed pharmacological studies are still underway. The compound's chloro and trifluoromethyl substituents are particularly valuable in optimizing drug-like properties, such as metabolic stability and membrane permeability.
Another area of growing interest is the use of Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate in material science. Fluorinated compounds are known for their unique electronic and surface properties, making them suitable for applications in organic electronics and coatings. Researchers are exploring its potential in designing advanced materials with tailored functionalities, such as improved durability and resistance to environmental stressors.
For those searching for buy Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate or CAS 1956318-15-2 suppliers, it is essential to source the compound from reputable manufacturers who adhere to stringent quality standards. The compound's purity and stability are critical for its performance in research and industrial applications. Additionally, regulatory compliance and proper handling protocols must be observed to ensure safe usage.
In conclusion, Ethyl 5-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylate (CAS No. 1956318-15-2) represents a versatile and valuable chemical entity with broad applications across multiple industries. Its unique structural features and functional groups make it a focal point in ongoing research and development efforts. As scientific advancements continue, this compound is poised to play a pivotal role in addressing some of the most pressing challenges in healthcare, agriculture, and technology.
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