Cas no 288252-75-5 (Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate)
Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
- ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
- 5-CHLORO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- A5433
- ACN-000090
- AK139388
- KB-245411
- SureCN6052569
- AKOS022172669
- SCHEMBL6052569
- 288252-75-5
- LZIXVIYLNWXTHN-UHFFFAOYSA-N
- FT-0770057
- ethyl5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
- DTXSID70623624
- 1H-Pyrazole-4-carboxylic acid, 5-chloro-1-(4-fluorophenyl)-, ethyl ester
- DB-068011
-
- Inchi: 1S/C12H10ClFN2O2/c1-2-18-12(17)10-7-15-16(11(10)13)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
- InChI Key: LZIXVIYLNWXTHN-UHFFFAOYSA-N
- SMILES: ClC1=C(C(=O)OCC)C=NN1C1C=CC(=CC=1)F
Computed Properties
- Exact Mass: 268.0416
- Monoisotopic Mass: 268.041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 298
- 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: 44.1A^2
- XLogP3: 3.2
Experimental Properties
- Density: 1.34
- Boiling Point: 358 oC
- Flash Point: 170 oC
- PSA: 44.12
Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A049003880-1g |
Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate |
288252-75-5 | 95% | 1g |
$334.56 | 2023-09-02 | |
| Chemenu | CM189004-1g |
ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate |
288252-75-5 | 95% | 1g |
$380 | 2021-08-05 | |
| Chemenu | CM189004-1g |
ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate |
288252-75-5 | 95% | 1g |
$353 | 2023-02-02 | |
| Ambeed | A385093-1g |
Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate |
288252-75-5 | 95+% | 1g |
$318.0 | 2024-04-20 |
Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
Additional information on Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
Comprehensive Overview of Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS No. 288252-75-5)
Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS No. 288252-75-5) is a specialized organic compound belonging to the pyrazole carboxylate family. This compound has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties and potential applications. The presence of both chloro and fluoro substituents enhances its reactivity, making it a valuable intermediate in the synthesis of bioactive molecules. Researchers and industry professionals frequently search for pyrazole derivatives, fluorophenyl compounds, and carboxylate esters to explore their utility in drug discovery and material science.
The molecular structure of Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate features a pyrazole ring substituted with a chloro group at the 5-position and a 4-fluorophenyl moiety at the 1-position. The ethyl carboxylate group at the 4-position further contributes to its versatility in chemical reactions. This compound is often discussed in the context of heterocyclic chemistry, a trending topic in organic synthesis, as researchers seek eco-friendly and efficient methods to produce such derivatives. Searches for sustainable synthesis of pyrazoles and green chemistry approaches reflect the growing interest in environmentally benign processes.
In recent years, the demand for fluorinated compounds like Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate has surged, driven by their applications in pharmaceutical intermediates and crop protection agents. The fluoro and chloro groups are known to improve the metabolic stability and bioavailability of drug candidates, aligning with the industry's focus on drug optimization. Additionally, the agrochemical sector explores such compounds for their potential as pesticide precursors, addressing global challenges like food security and sustainable agriculture.
From a technical perspective, the synthesis of CAS No. 288252-75-5 typically involves multi-step reactions, including cyclization and esterification. Analytical techniques such as NMR spectroscopy, mass spectrometry, and HPLC are employed to characterize its purity and structure. These methods are frequently searched by chemists and quality control professionals, highlighting the compound's relevance in analytical chemistry and process development.
The versatility of Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate extends to its role in material science. Its aromatic and heterocyclic framework makes it a candidate for designing functional materials, such as organic semiconductors or coordination polymers. With the rise of green energy technologies, researchers are investigating such compounds for their electronic properties, tying into popular searches like organic electronics and renewable energy materials.
In conclusion, Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS No. 288252-75-5) represents a multifaceted compound with broad applications across pharmaceuticals, agrochemicals, and advanced materials. Its structural features and synthetic adaptability align with current trends in sustainable chemistry and innovation-driven research, making it a subject of ongoing exploration and development.
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