Cas no 1204298-65-6 (5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid)
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
- 5-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
- BOC-ASP(OFM)-OH
- 1H-Pyrazole-4-carboxylic acid, 5-(difluoromethyl)-1-methyl-
- 1-Methyl-5-(difluoromethyl)-1H-pyrazole-4-carboxylic acid
- 5-Difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid
- CTTXMUZEFPPHGD-UHFFFAOYSA-N
- 3543AA
- TRA0070880
- SB21897
- RP23761
- AK123281
- AB0060261
- ST24044238
- 5-difluoromethyl-1-methylpyrazole-4-carboxylic acid
- 5-(difluoromethyl)
- AC-28859
- EN300-66591
- AKOS012187968
- 1204298-65-6
- CS-W007116
- DS-6922
- STL584006
- 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylicacid
- J-516337
- SCHEMBL713246
- MFCD12827721
- Z1033285290
- DB-349657
- DTXSID60679099
- DTXCID70629848
- A11651
-
- MDL: MFCD12827721
- Inchi: 1S/C6H6F2N2O2/c1-10-4(5(7)8)3(2-9-10)6(11)12/h2,5H,1H3,(H,11,12)
- InChI Key: CTTXMUZEFPPHGD-UHFFFAOYSA-N
- SMILES: FC(C1=C(C(=O)O)C=NN1C)F
Computed Properties
- Exact Mass: 176.03978
- Monoisotopic Mass: 176.03973376g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 188
- 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: 55.1
- XLogP3: 0.4
Experimental Properties
- Density: 1.52
- PSA: 55.12
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Security Information
- Signal Word:Warning
- Hazard Statement: H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Storage Condition:Sealed in dry,Room Temperature
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A049003652-5g |
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1204298-65-6 | 97% | 5g |
$611.10 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D302611-1g |
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1204298-65-6 | 97% | 1g |
¥2027.90 | 2023-09-03 | |
| TRC | D445348-10mg |
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid |
1204298-65-6 | 10mg |
$190.00 | 2023-05-18 | ||
| TRC | D445348-50mg |
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid |
1204298-65-6 | 50mg |
$873.00 | 2023-05-18 | ||
| TRC | D445348-100mg |
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid |
1204298-65-6 | 100mg |
$ 1800.00 | 2023-09-07 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D902318-1g |
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1204298-65-6 | 97% | 1g |
¥3,088.00 | 2022-01-12 | |
| Chemenu | CM188654-100mg |
5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1204298-65-6 | 95+% | 100mg |
$167 | 2021-08-05 | |
| Chemenu | CM188654-250mg |
5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1204298-65-6 | 95+% | 250mg |
$279 | 2021-08-05 | |
| Chemenu | CM188654-1g |
5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1204298-65-6 | 95+% | 1g |
$644 | 2021-08-05 | |
| Apollo Scientific | PC910578-250mg |
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1204298-65-6 | 95% | 250mg |
£158.00 | 2025-02-22 |
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
Additional information on 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Comprehensive Overview of 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS No. 1204298-65-6)
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS No. 1204298-65-6) is a fluorinated pyrazole derivative that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. The compound features a difluoromethyl group and a carboxylic acid moiety, which contribute to its reactivity and potential applications. Researchers are particularly interested in its role as a building block for synthesizing more complex molecules, especially in the development of novel heterocyclic compounds.
In recent years, the demand for fluorinated pyrazole derivatives has surged, driven by their versatility in drug discovery and crop protection. The difluoromethyl group in 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid enhances its metabolic stability and bioavailability, making it a valuable intermediate in medicinal chemistry. This aligns with the growing trend of incorporating fluorine atoms into bioactive molecules to improve their efficacy and reduce side effects.
The synthesis of 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid typically involves multi-step reactions, including cyclization and fluorination processes. Its CAS No. 1204298-65-6 serves as a unique identifier for researchers and suppliers, ensuring accurate sourcing and regulatory compliance. The compound's purity and stability are critical factors for its successful application, prompting rigorous quality control measures in its production.
One of the most searched questions related to this compound is: "What are the applications of 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid in drug development?" Studies suggest its potential as a precursor for kinase inhibitors and anti-inflammatory agents, reflecting the broader interest in targeted therapies. Additionally, its agrochemical applications, such as in the synthesis of pesticides and herbicides, highlight its cross-industry relevance.
Another trending topic is the environmental impact of fluorinated compounds. While 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid is not classified as hazardous, researchers are exploring greener synthesis methods to minimize waste and energy consumption. This aligns with the global push for sustainable chemistry and the reduction of carbon footprints in industrial processes.
From a commercial perspective, the market for 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid is expanding, with suppliers offering custom synthesis and bulk quantities. Its CAS No. 1204298-65-6 is frequently referenced in procurement databases, underscoring its importance in the chemical supply chain. Analysts predict continued growth, driven by advancements in pharmaceutical research and agrochemical innovation.
In conclusion, 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS No. 1204298-65-6) represents a critical intermediate in modern chemistry, bridging the gap between academic research and industrial applications. Its unique properties and versatility make it a focal point for scientists addressing challenges in drug discovery, crop protection, and sustainable manufacturing. As research progresses, this compound is poised to play an even more significant role in shaping the future of specialty chemicals.
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