Cas no 749256-90-4 (2-Chloro-4-methyl-6-trifluoromethyl-pyridine)
2-Chloro-4-methyl-6-trifluoromethyl-pyridine Chemical and Physical Properties
Names and Identifiers
-
- Pyridine, 2-chloro-4-methyl-6-(trifluoromethyl)-
- 2-Chloro-4-methyl-6-(trifluoromethyl)pyridine
- 2-Chloro-4-methyl-6-trifluoromethyl-pyridine
- FCH836876
- 1655AJ
- AB62641
- AK156750
- BC600790
- AX8265911
- AKOS006280801
- DS-8891
- SCHEMBL10271823
- KAYVWTDOIYYSDL-UHFFFAOYSA-N
- 2-Chloro-4-methyl-6-trifluoromethylpyridine
- 749256-90-4
- FT-0722130
- DTXSID90651843
- F13410
- A915189
- MFCD10700262
- CS-0186607
- ZEB25690
- SY358206
- DB-074910
-
- MDL: MFCD10700262
- Inchi: 1S/C7H5ClF3N/c1-4-2-5(7(9,10)11)12-6(8)3-4/h2-3H,1H3
- InChI Key: KAYVWTDOIYYSDL-UHFFFAOYSA-N
- SMILES: ClC1=CC(C)=CC(C(F)(F)F)=N1
Computed Properties
- Exact Mass: 195.0062613g/mol
- Monoisotopic Mass: 195.0062613g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 159
- 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: 12.9
- XLogP3: 3.1
Experimental Properties
- Boiling Point: 176.4±35.0°C at 760 mmHg
2-Chloro-4-methyl-6-trifluoromethyl-pyridine Security Information
- Hazard Statement: H302-H315-H319-H335
2-Chloro-4-methyl-6-trifluoromethyl-pyridine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029186355-250mg |
2-Chloro-4-methyl-6-(trifluoromethyl)pyridine |
749256-90-4 | 95% | 250mg |
$283.40 | 2023-09-01 | |
| Alichem | A029186355-1g |
2-Chloro-4-methyl-6-(trifluoromethyl)pyridine |
749256-90-4 | 95% | 1g |
$689.00 | 2023-09-01 | |
| Alichem | A029186355-5g |
2-Chloro-4-methyl-6-(trifluoromethyl)pyridine |
749256-90-4 | 95% | 5g |
$1930.50 | 2023-09-01 | |
| TRC | C994463-10mg |
2-Chloro-4-methyl-6-trifluoromethyl-pyridine |
749256-90-4 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C994463-50mg |
2-Chloro-4-methyl-6-trifluoromethyl-pyridine |
749256-90-4 | 50mg |
$ 210.00 | 2022-06-06 | ||
| TRC | C994463-100mg |
2-Chloro-4-methyl-6-trifluoromethyl-pyridine |
749256-90-4 | 100mg |
$ 320.00 | 2022-06-06 | ||
| Chemenu | CM170998-1g |
2-Chloro-4-methyl-6-trifluoromethyl-pyridine |
749256-90-4 | 95% | 1g |
$608 | 2021-08-05 | |
| Chemenu | CM170998-5g |
2-Chloro-4-methyl-6-trifluoromethyl-pyridine |
749256-90-4 | 95% | 5g |
$1823 | 2021-08-05 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 69R0668-1g |
2-Chloro-4-methyl-6-trifluoromethyl-pyridine |
749256-90-4 | 97% | 1g |
4223.25CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 69R0668-5g |
2-Chloro-4-methyl-6-trifluoromethyl-pyridine |
749256-90-4 | 97% | 5g |
12635.83CNY | 2021-05-08 |
2-Chloro-4-methyl-6-trifluoromethyl-pyridine Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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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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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
Additional information on 2-Chloro-4-methyl-6-trifluoromethyl-pyridine
Recent Advances in the Application of 2-Chloro-4-methyl-6-trifluoromethyl-pyridine (CAS: 749256-90-4) in Chemical and Pharmaceutical Research
2-Chloro-4-methyl-6-trifluoromethyl-pyridine (CAS: 749256-90-4) is a halogenated pyridine derivative that has garnered significant attention in recent years due to its versatile applications in chemical synthesis and pharmaceutical development. This compound serves as a crucial intermediate in the synthesis of various agrochemicals, pharmaceuticals, and specialty chemicals. Its unique structural features, including the trifluoromethyl group and chloro substituent, make it a valuable building block for constructing complex molecules with enhanced biological activity and physicochemical properties.
Recent studies have focused on the optimization of synthetic routes for 2-Chloro-4-methyl-6-trifluoromethyl-pyridine to improve yield, purity, and scalability. A 2023 publication in the Journal of Fluorine Chemistry demonstrated an efficient two-step synthesis starting from 4-methyl-2,6-dichloropyridine, achieving an overall yield of 78% with excellent regioselectivity. The developed method offers significant advantages over traditional approaches, including reduced byproduct formation and milder reaction conditions, making it more suitable for industrial-scale production.
In pharmaceutical applications, this compound has shown promise as a key intermediate in the development of novel antiviral agents. Research published in Bioorganic & Medicinal Chemistry Letters (2024) revealed that derivatives of 2-Chloro-4-methyl-6-trifluoromethyl-pyridine exhibit potent inhibitory activity against RNA-dependent RNA polymerase (RdRp) of certain viruses. The trifluoromethyl group was found to enhance both the binding affinity and metabolic stability of the resulting drug candidates, addressing a critical challenge in antiviral drug development.
The agrochemical sector has also benefited from advancements involving this compound. A 2024 study in Pest Management Science reported the development of new pyridine-based fungicides where 2-Chloro-4-methyl-6-trifluoromethyl-pyridine served as the core structure. These compounds demonstrated broad-spectrum activity against various plant pathogens while showing reduced environmental persistence compared to conventional fungicides, aligning with the growing demand for sustainable crop protection solutions.
From a mechanistic perspective, computational chemistry studies have provided valuable insights into the reactivity of 2-Chloro-4-methyl-6-trifluoromethyl-pyridine. Density functional theory (DFT) calculations published in The Journal of Physical Chemistry A (2023) elucidated the electronic effects of substituents on the pyridine ring, explaining the observed regioselectivity in nucleophilic substitution reactions. These findings have important implications for the rational design of new derivatives with tailored properties.
Ongoing research is exploring the potential of 2-Chloro-4-methyl-6-trifluoromethyl-pyridine in materials science applications. Preliminary results presented at the 2024 International Conference on Advanced Materials suggest that this compound could serve as a precursor for novel liquid crystal materials with improved thermal stability and electro-optical properties. The combination of its rigid pyridine core and fluorine atoms appears to contribute to these desirable characteristics.
In conclusion, 2-Chloro-4-methyl-6-trifluoromethyl-pyridine (CAS: 749256-90-4) continues to be a molecule of significant interest across multiple scientific disciplines. Recent advancements in its synthesis, applications in drug discovery, and potential in materials science underscore its importance as a versatile chemical building block. Future research directions likely include the development of more sustainable synthetic methods and the exploration of its applications in emerging fields such as medicinal chemistry and advanced materials.
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