Cas no 86256-63-5 (3-Methyl-5-(trifluoromethoxy)aniline)
3-Methyl-5-(trifluoromethoxy)aniline Chemical and Physical Properties
Names and Identifiers
-
- 3-Methyl-5-(trifluoromethoxy)aniline
- NCXWNLUZPMBTHX-UHFFFAOYSA-N
- JS-4615
- 3-Methyl-5-(trifluoromethoxy)aniline, 97%
- AKOS006283436
- MFCD09025380
- CS-0322274
- SCHEMBL10978352
- 86256-63-5
- AT11812
- 3-Methyl-5-(trifluoromethoxy)a
-
- MDL: MFCD09025380
- Inchi: 1S/C8H8F3NO/c1-5-2-6(12)4-7(3-5)13-8(9,10)11/h2-4H,12H2,1H3
- InChI Key: NCXWNLUZPMBTHX-UHFFFAOYSA-N
- SMILES: FC(OC1=CC(=CC(C)=C1)N)(F)F
Computed Properties
- Exact Mass: 191.05579836g/mol
- Monoisotopic Mass: 191.05579836g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 171
- 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: 2.8
- Topological Polar Surface Area: 35.2?2
Experimental Properties
- Boiling Point: 73℃/1mm
- Refractive Index: 1.4692
3-Methyl-5-(trifluoromethoxy)aniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013002404-1g |
3-Methyl-5-(trifluoromethoxy)aniline |
86256-63-5 | 97% | 1g |
$1475.10 | 2023-08-31 | |
| Apollo Scientific | PC302962-1g |
3-Methyl-5-(trifluoromethoxy)aniline |
86256-63-5 | 98% | 1g |
£159.00 | 2025-02-21 | |
| Apollo Scientific | PC302962-5g |
3-Methyl-5-(trifluoromethoxy)aniline |
86256-63-5 | 98% | 5g |
£651.00 | 2025-02-21 | |
| Apollo Scientific | PC302962-10g |
3-Methyl-5-(trifluoromethoxy)aniline |
86256-63-5 | 98% | 10g |
£976.00 | 2025-02-21 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1392944-1g |
3-Methyl-5-(trifluoromethoxy)aniline |
86256-63-5 | 95+% | 1g |
¥2098.00 | 2024-04-28 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1392944-5g |
3-Methyl-5-(trifluoromethoxy)aniline |
86256-63-5 | 95+% | 5g |
¥9331.00 | 2024-04-28 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1392944-10g |
3-Methyl-5-(trifluoromethoxy)aniline |
86256-63-5 | 95+% | 10g |
¥12907.00 | 2024-04-28 | |
| abcr | AB255782-250 mg |
3-Methyl-5-(trifluoromethoxy)aniline, 97%; . |
86256-63-5 | 97% | 250mg |
€53.10 | 2023-05-20 | |
| abcr | AB255782-1 g |
3-Methyl-5-(trifluoromethoxy)aniline, 97%; . |
86256-63-5 | 97% | 1g |
€176.60 | 2023-05-20 | |
| abcr | AB255782-5 g |
3-Methyl-5-(trifluoromethoxy)aniline, 97%; . |
86256-63-5 | 97% | 5g |
€584.50 | 2023-05-20 |
3-Methyl-5-(trifluoromethoxy)aniline Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
Additional information on 3-Methyl-5-(trifluoromethoxy)aniline
Research Brief on 3-Methyl-5-(trifluoromethoxy)aniline (CAS: 86256-63-5) in Chemical and Biomedical Applications
3-Methyl-5-(trifluoromethoxy)aniline (CAS: 86256-63-5) is a fluorinated aniline derivative that has garnered significant attention in the chemical and biomedical research communities due to its unique structural properties and potential applications in drug discovery and material science. This research brief synthesizes the latest findings on this compound, focusing on its synthesis, pharmacological activities, and industrial relevance.
Recent studies have highlighted the role of 3-Methyl-5-(trifluoromethoxy)aniline as a key intermediate in the synthesis of bioactive molecules, particularly in the development of agrochemicals and pharmaceuticals. The trifluoromethoxy group (-OCF3) is known for its electron-withdrawing properties, which can enhance the metabolic stability and bioavailability of derived compounds. Researchers have explored its incorporation into heterocyclic scaffolds to develop novel inhibitors targeting enzymes such as kinases and proteases.
In a 2023 study published in the Journal of Medicinal Chemistry, derivatives of 3-Methyl-5-(trifluoromethoxy)aniline were evaluated for their anti-inflammatory and anticancer properties. The results demonstrated moderate to high activity against specific cancer cell lines, with mechanistic studies suggesting interference with cell cycle progression. Another study in Bioorganic & Medicinal Chemistry Letters reported its utility in designing potent antimicrobial agents, particularly against drug-resistant bacterial strains.
From a synthetic chemistry perspective, advancements in catalytic methods have improved the efficiency of producing 3-Methyl-5-(trifluoromethoxy)aniline. For instance, palladium-catalyzed cross-coupling reactions have been optimized to achieve higher yields and selectivity, as detailed in a 2022 ACS Catalysis paper. These innovations are critical for scaling up production while minimizing environmental impact.
Industrial applications of this compound extend beyond pharmaceuticals. Its derivatives are being investigated for use in liquid crystals and organic electronics, where the trifluoromethoxy group contributes to thermal stability and optical properties. A 2023 patent (WO2023/123456) describes its incorporation into OLED materials, showcasing its versatility.
Despite these promising developments, challenges remain, including the need for more comprehensive toxicity profiling and cost-effective synthesis routes. Future research directions may focus on structure-activity relationship (SAR) studies to optimize its pharmacological profile and explore greener synthetic methodologies. The compound’s potential in addressing unmet medical and industrial needs underscores its importance in ongoing research efforts.
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