Cas no 1111129-39-5 (2-hydroxy-5-[3-(trifluoromethoxy)phenyl]benzaldehyde)
2-hydroxy-5-[3-(trifluoromethoxy)phenyl]benzaldehyde Chemical and Physical Properties
Names and Identifiers
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- 2-hydroxy-5-[3-(trifluoromethoxy)phenyl]benzaldehyde
- 2-Formyl-4-(3-trifluoromethoxyphenyl)phenol, 95%
- 2-FORMYL-4-(3-TRIFLUOROMETHOXYPHENYL)PHENOL
- A1-53760
- 4-Hydroxy-3'-(trifluoromethoxy)[1,1'-biphenyl]-3-carbaldehyde
- 4-Hydroxy-3'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carbaldehyde
- 1111129-39-5
- DTXSID20685333
- MFCD11877762
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- MDL: MFCD11877762
- Inchi: 1S/C14H9F3O3/c15-14(16,17)20-12-3-1-2-9(7-12)10-4-5-13(19)11(6-10)8-18/h1-8,19H
- InChI Key: LEDZZOUMUADSFL-UHFFFAOYSA-N
- SMILES: FC(OC1=CC=CC(=C1)C1C=CC(=C(C=O)C=1)O)(F)F
Computed Properties
- Exact Mass: 282.05037863g/mol
- Monoisotopic Mass: 282.05037863g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 332
- 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: 4.4
- Topological Polar Surface Area: 46.5?2
2-hydroxy-5-[3-(trifluoromethoxy)phenyl]benzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB321031-5 g |
2-Formyl-4-(3-trifluoromethoxyphenyl)phenol, 95%; . |
1111129-39-5 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB321031-5g |
2-Formyl-4-(3-trifluoromethoxyphenyl)phenol, 95%; . |
1111129-39-5 | 95% | 5g |
€1159.00 | 2025-02-21 |
2-hydroxy-5-[3-(trifluoromethoxy)phenyl]benzaldehyde Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
Additional information on 2-hydroxy-5-[3-(trifluoromethoxy)phenyl]benzaldehyde
Introduction to 2-hydroxy-5-[3-(trifluoromethoxy)phenyl]benzaldehyde (CAS No. 1111129-39-5)
2-hydroxy-5-[3-(trifluoromethoxy)phenyl]benzaldehyde, identified by the CAS number 1111129-39-5, is a specialized organic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This compound belongs to the class of aromatic aldehydes, characterized by the presence of a benzaldehyde moiety integrated with hydroxyl and trifluoromethoxy substituents. The unique structural features of this molecule make it a valuable intermediate in the synthesis of various pharmacologically active agents, particularly those targeting neurological and inflammatory disorders.
The< strong>benzaldehyde core of this compound plays a crucial role in its reactivity and biological activity. Benzaldehyde derivatives are well-documented for their diverse applications in medicinal chemistry, often serving as precursors for more complex molecules. The incorporation of a< strong>hydroxyl group at the 2-position and a< strong>trifluoromethoxy group at the 3-position of the phenyl ring introduces additional functional properties that enhance its utility in drug design. These substituents not only influence the electronic distribution across the molecule but also modulate its solubility, metabolic stability, and interactions with biological targets.
In recent years, there has been a surge in research focused on developing novel therapeutic agents with enhanced efficacy and reduced side effects. The< strong>2-hydroxy-5-[3-(trifluoromethoxy)phenyl]benzaldehyde molecule has emerged as a promising candidate in this context. Its structural motif is reminiscent of several known pharmacophores that exhibit potent activity against diseases such as Alzheimer's, Parkinson's, and chronic inflammation. The< strong>trifluoromethoxy group, in particular, is recognized for its ability to improve metabolic stability and binding affinity to biological receptors, making it an attractive feature for drug development.
One of the most compelling aspects of this compound is its potential application in the synthesis of small-molecule inhibitors targeting enzymes involved in neurodegenerative processes. For instance, studies have demonstrated that derivatives of benzaldehyde can interact with acetylcholinesterase and butyrylcholinesterase, enzymes whose dysregulation is associated with cognitive decline. The< strong>hydroxyl group on this compound provides a site for hydrogen bonding interactions, which can be exploited to enhance binding specificity. Furthermore, the electron-withdrawing nature of the< strong>trifluoromethoxy group can fine-tune the electronic properties of the benzene ring, influencing how it interacts with biological targets.
The pharmaceutical industry has increasingly recognized the importance of fluorinated aromatic compounds due to their favorable pharmacokinetic properties. The presence of fluorine atoms can significantly alter the lipophilicity, metabolic clearance, and immunogenicity of drug candidates. In the case of< strong>2-hydroxy-5-[3-(trifluoromethoxy)phenyl]benzaldehyde, the strategic placement of fluorine atoms enhances its potential as a building block for next-generation therapeutics. Researchers have leveraged this compound to develop novel analogs with improved pharmacological profiles, including enhanced bioavailability and reduced toxicity.
Epidemiological and preclinical studies have highlighted the growing burden of chronic inflammatory diseases worldwide. Compounds that can modulate inflammatory pathways without inducing adverse effects are highly sought after. The< strong>2-hydroxy-5-[3-(trifluoromethoxy)phenyl]benzaldehyde molecule has shown promise in this regard, with preliminary data suggesting its ability to inhibit key pro-inflammatory cytokines such as TNF-α and IL-6. Its mechanism of action likely involves interactions with transcription factors and signaling pathways that regulate inflammation, offering a potential therapeutic strategy for conditions like rheumatoid arthritis and inflammatory bowel disease.
The synthetic chemistry behind< strong>2-hydroxy-5-[3-(trifluoromethoxy)phenyl]benzaldehyde is also noteworthy. The synthesis typically involves multi-step reactions starting from commercially available aromatic precursors. Key steps include selective functionalization at specific positions on the phenyl ring, followed by formylation to introduce the aldehyde group. Advances in catalytic methods have enabled more efficient and sustainable synthetic routes, reducing waste generation and improving yield. These advancements are crucial for scaling up production while maintaining cost-effectiveness.
The analytical characterization of this compound is another critical aspect that underscores its importance in research and development. High-resolution spectroscopic techniques such as NMR spectroscopy (1H and 13C), mass spectrometry (LC-MS), and infrared spectroscopy (IR) are routinely employed to confirm its structure and purity. Additionally, X-ray crystallography has been utilized to determine its molecular geometry at an atomic level, providing insights into how it might interact with biological targets.
In conclusion,< strong>2-hydroxy-5-[3-(trifluoromethoxy)phenyl]benzaldehyde (CAS No.< strong>1111129-39-5) represents a significant advancement in medicinal chemistry due to its unique structural features and versatile applications. Its potential as an intermediate in drug development continues to be explored across various therapeutic areas, particularly those involving neurological disorders and chronic inflammation. As research progresses, it is anticipated that derivatives of this compound will play an increasingly pivotal role in addressing unmet medical needs.
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