Cas no 116344-16-2 (5-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid)
5-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid Chemical and Physical Properties
Names and Identifiers
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- 5-ethyl-1-phenylpyrazole-4-carboxylic acid
- AKOS009175153
- BDBM50634281
- CHEMBL5393788
- 5-ethyl-1-phenyl-1H-pyrazole-4-carboxylic acid
- 5-ethyl-1-phenyl-1H-pyrazole-4-carboxylicacid
- 116344-16-2
- Z320118386
- DB-169012
- EN300-31265
- DTXSID30429063
- G24846
- SCHEMBL1905624
- VFLMYSWXEOLIOB-UHFFFAOYSA-N
- CS-0245867
- 1H-Pyrazole-4-carboxylic acid, 5-ethyl-1-phenyl-
- 5-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid
-
- MDL: MFCD09971441
- Inchi: 1S/C12H12N2O2/c1-2-11-10(12(15)16)8-13-14(11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16)
- InChI Key: VFLMYSWXEOLIOB-UHFFFAOYSA-N
- SMILES: OC(C1C=NN(C2C=CC=CC=2)C=1CC)=O
Computed Properties
- Exact Mass: 216.089877630Da
- Monoisotopic Mass: 216.089877630Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 251
- 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: 2.3
- Topological Polar Surface Area: 55.1?2
5-Ethyl-1-phenyl-1H-pyrazole-4-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-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B435990-25mg |
5-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid |
116344-16-2 | 25mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B435990-50mg |
5-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid |
116344-16-2 | 50mg |
$ 95.00 | 2022-06-07 | ||
| TRC | B435990-250mg |
5-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid |
116344-16-2 | 250mg |
$ 320.00 | 2022-06-07 | ||
| Enamine | EN300-31265-0.05g |
5-ethyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
116344-16-2 | 95.0% | 0.05g |
$66.0 | 2025-03-21 | |
| Enamine | EN300-31265-0.1g |
5-ethyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
116344-16-2 | 95.0% | 0.1g |
$98.0 | 2025-03-21 | |
| Enamine | EN300-31265-0.25g |
5-ethyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
116344-16-2 | 95.0% | 0.25g |
$142.0 | 2025-03-21 | |
| Enamine | EN300-31265-0.5g |
5-ethyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
116344-16-2 | 95.0% | 0.5g |
$271.0 | 2025-03-21 | |
| Enamine | EN300-31265-1.0g |
5-ethyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
116344-16-2 | 95.0% | 1.0g |
$371.0 | 2025-03-21 | |
| Enamine | EN300-31265-2.5g |
5-ethyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
116344-16-2 | 95.0% | 2.5g |
$726.0 | 2025-03-21 | |
| Enamine | EN300-31265-5.0g |
5-ethyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
116344-16-2 | 95.0% | 5.0g |
$1075.0 | 2025-03-21 |
5-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
Additional information on 5-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid
Comprehensive Overview of 5-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid (CAS No. 116344-16-2)
5-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid (CAS No. 116344-16-2) is a specialized organic compound belonging to the pyrazole carboxylic acid family. Its unique molecular structure, featuring an ethyl group at the 5-position and a phenyl ring at the 1-position, makes it a valuable intermediate in pharmaceutical and agrochemical research. The compound's carboxylic acid functional group further enhances its reactivity, enabling diverse synthetic applications.
In recent years, the demand for pyrazole derivatives has surged due to their broad biological activities, including anti-inflammatory, antimicrobial, and anticancer properties. Researchers are particularly interested in 5-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid for its potential role in drug discovery, especially in designing small-molecule inhibitors targeting enzymes like COX-2 or kinases. Its structural versatility allows for easy modification, making it a hotspot in medicinal chemistry.
The synthesis of CAS 116344-16-2 typically involves condensation reactions between ethyl acetoacetate and phenylhydrazine, followed by oxidation to introduce the carboxylic acid moiety. Advanced purification techniques like column chromatography or recrystallization ensure high purity, which is critical for research applications. Analytical methods such as HPLC and NMR spectroscopy are employed to confirm its identity and assess quality.
From an industrial perspective, 5-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid aligns with the growing trend of green chemistry. Manufacturers are exploring solvent-free or water-based synthesis routes to minimize environmental impact. This resonates with the sustainability-driven preferences of modern consumers and aligns with regulatory frameworks like REACH.
Frequently asked questions about this compound include: "What are the applications of pyrazole-4-carboxylic acids?", "How to optimize the yield of CAS 116344-16-2?", and "Is this compound compatible with peptide coupling reagents?". These queries reflect its relevance in organic synthesis and bioconjugation workflows. Notably, its logP value and solubility profile are also key considerations for formulators.
In summary, 5-Ethyl-1-phenyl-1H-pyrazole-4-carboxylic Acid exemplifies the intersection of structural innovation and practical utility in fine chemicals. As research into heterocyclic compounds expands, this molecule is poised to play a pivotal role in developing next-generation therapeutics and functional materials.
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