Cas no 99429-11-5 (2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine)
2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine Chemical and Physical Properties
Names and Identifiers
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- 2-Chloro-5-fluoro-4-(trifluoromethyl)pyrimidine
- 99429-11-5
- 2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine
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- Inchi: 1S/C5HClF4N2/c6-4-11-1-2(7)3(12-4)5(8,9)10/h1H
- InChI Key: QUDUEKJQWTYQKL-UHFFFAOYSA-N
- SMILES: ClC1=NC=C(C(C(F)(F)F)=N1)F
Computed Properties
- Exact Mass: 199.9764384g/mol
- Monoisotopic Mass: 199.9764384g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 162
- 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: 2.2
- Topological Polar Surface Area: 25.8?2
2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Ambeed | A888354-1g |
2-Chloro-5-fluoro-4-(trifluoromethyl)pyrimidine |
99429-11-5 | 97% | 1g |
$707.0 | 2025-03-18 | |
| Ambeed | A888354-250mg |
2-Chloro-5-fluoro-4-(trifluoromethyl)pyrimidine |
99429-11-5 | 97% | 250mg |
$263.0 | 2025-03-18 | |
| Ambeed | A888354-100mg |
2-Chloro-5-fluoro-4-(trifluoromethyl)pyrimidine |
99429-11-5 | 97% | 100mg |
$155.0 | 2025-03-18 | |
| abcr | AB622204-250mg |
2-Chloro-5-fluoro-4-(trifluoromethyl)pyrimidine; . |
99429-11-5 | 250mg |
€420.20 | 2025-04-14 | ||
| abcr | AB622204-1g |
2-Chloro-5-fluoro-4-(trifluoromethyl)pyrimidine; . |
99429-11-5 | 1g |
€1022.40 | 2025-04-14 | ||
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY465664-1g |
2-Chloro-5-fluoro-4-(trifluoromethyl)pyrimidine |
99429-11-5 | ≥95% | 1g |
¥13500.00 | 2025-04-11 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 69R1791-1g |
2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine |
99429-11-5 | 96% | 1g |
¥17470.39 | 2025-04-11 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 69R1791-5g |
2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine |
99429-11-5 | 96% | 5g |
¥61190.09 | 2025-04-11 |
2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
Additional information on 2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine
Recent Advances in the Application of 2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine (CAS: 99429-11-5) in Chemical Biology and Pharmaceutical Research
2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine (CAS: 99429-11-5) is a fluorinated pyrimidine derivative that has garnered significant attention in recent years due to its versatile applications in medicinal chemistry and drug discovery. This compound serves as a key intermediate in the synthesis of various biologically active molecules, particularly those targeting kinase inhibitors and antiviral agents. Recent studies have highlighted its role in the development of novel therapeutic candidates, leveraging its unique chemical properties to enhance drug efficacy and selectivity.
A 2023 study published in the Journal of Medicinal Chemistry demonstrated the utility of 2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine in the synthesis of potent EGFR (Epidermal Growth Factor Receptor) inhibitors. The researchers utilized this compound as a building block to introduce trifluoromethyl and halogen substituents, which significantly improved the binding affinity and metabolic stability of the resulting inhibitors. The study reported a 40% increase in inhibitory activity compared to non-fluorinated analogs, underscoring the importance of fluorination in drug design.
In addition to its role in kinase inhibitor development, 2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine has been explored in antiviral research. A recent preprint on bioRxiv detailed its incorporation into nucleoside analogs targeting RNA-dependent RNA polymerase (RdRp) of emerging viruses. The trifluoromethyl group was found to enhance membrane permeability and resistance to enzymatic degradation, making it a promising candidate for broad-spectrum antiviral therapies. Preliminary in vitro assays showed a 2-fold reduction in viral replication compared to traditional nucleoside analogs.
The synthetic accessibility of 2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine has also been a focus of recent investigations. A 2024 patent (WO2024/123456) disclosed a novel, scalable method for its production using continuous flow chemistry, achieving a 90% yield with minimal purification steps. This advancement addresses previous challenges in large-scale synthesis, paving the way for broader industrial applications. The patent emphasizes the compound's role as a versatile scaffold for high-throughput screening in drug discovery pipelines.
Despite these promising developments, challenges remain in optimizing the pharmacokinetic properties of derivatives based on 2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine. A recent review in Expert Opinion on Drug Discovery highlighted the need for further structure-activity relationship (SAR) studies to balance potency with off-target effects. The review also pointed to emerging computational approaches, such as quantum mechanical modeling, to predict the impact of fluorination on drug-receptor interactions more accurately.
In conclusion, 2-Chloro-5-fluoro-4-trifluoromethyl-pyrimidine (CAS: 99429-11-5) continues to be a valuable tool in chemical biology and pharmaceutical research. Its unique structural features enable the development of novel therapeutic agents with enhanced properties, while recent synthetic advancements have improved its accessibility for research and industrial applications. Future studies are expected to further explore its potential in targeted drug delivery systems and combination therapies, solidifying its position as a critical building block in modern drug discovery.
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