Cas no 1261947-38-9 (5-(3-Chlorophenyl)-2-methoxyphenol)
5-(3-Chlorophenyl)-2-methoxyphenol Chemical and Physical Properties
Names and Identifiers
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- MFCD18315069
- 3'-Chloro-4-methoxy[1,1'-biphenyl]-3-ol
- 1261947-38-9
- 5-(3-Chlorophenyl)-2-methoxyphenol, 95%
- DTXSID40685517
- 5-(3-CHLOROPHENYL)-2-METHOXYPHENOL
- 5-(3-Chlorophenyl)-2-methoxyphenol
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- MDL: MFCD18315069
- Inchi: 1S/C13H11ClO2/c1-16-13-6-5-10(8-12(13)15)9-3-2-4-11(14)7-9/h2-8,15H,1H3
- InChI Key: ZLDGYXNSEGTWIZ-UHFFFAOYSA-N
- SMILES: ClC1=CC=CC(=C1)C1C=CC(=C(C=1)O)OC
Computed Properties
- Exact Mass: 234.0447573Da
- Monoisotopic Mass: 234.0447573Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 222
- 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: 3.8
- Topological Polar Surface Area: 29.5?2
5-(3-Chlorophenyl)-2-methoxyphenol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB321248-5 g |
5-(3-Chlorophenyl)-2-methoxyphenol, 95%; . |
1261947-38-9 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB321248-5g |
5-(3-Chlorophenyl)-2-methoxyphenol, 95%; . |
1261947-38-9 | 95% | 5g |
€1159.00 | 2025-03-19 |
5-(3-Chlorophenyl)-2-methoxyphenol Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
Additional information on 5-(3-Chlorophenyl)-2-methoxyphenol
Introduction to 5-(3-Chlorophenyl)-2-methoxyphenol (CAS No: 1261947-38-9)
5-(3-Chlorophenyl)-2-methoxyphenol, identified by the Chemical Abstracts Service Number (CAS No) 1261947-38-9, is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This phenolic derivative, characterized by its chloro and methoxy substituents, has garnered attention due to its structural uniqueness and potential biological activities. The compound’s molecular structure, featuring a benzene ring substituted with a chlorine atom at the 3-position and a methoxy group at the 2-position, positions it as a promising candidate for further exploration in drug discovery and therapeutic applications.
The synthesis and characterization of 5-(3-Chlorophenyl)-2-methoxyphenol involve meticulous chemical processes that ensure high purity and yield. The presence of the chloro group enhances the electrophilicity of the aromatic ring, making it susceptible to nucleophilic substitution reactions, which is a key feature in medicinal chemistry for modifying and optimizing pharmacological properties. Meanwhile, the methoxy group introduces electron-donating effects, influencing the overall reactivity and electronic distribution within the molecule. These structural features make 5-(3-Chlorophenyl)-2-methoxyphenol a versatile intermediate in the synthesis of more complex pharmaceutical agents.
In recent years, there has been a surge in research focused on phenolic compounds due to their diverse biological activities. Phenols, in general, are known for their antioxidant, anti-inflammatory, and antimicrobial properties. The specific arrangement of substituents in 5-(3-Chlorophenyl)-2-methoxyphenol may contribute to unique pharmacological effects that have not been fully explored. Preliminary studies suggest that this compound could exhibit properties relevant to cancer chemoprevention, neuroprotection, and cardiovascular health. These potential applications are driven by the growing interest in natural product-inspired drug design, where structural motifs derived from bioactive molecules are further optimized for therapeutic efficacy.
The investigation into 5-(3-Chlorophenyl)-2-methoxyphenol has been complemented by advancements in computational chemistry and molecular modeling techniques. These tools allow researchers to predict the binding interactions of the compound with biological targets such as enzymes and receptors. By leveraging high-throughput virtual screening, scientists have been able to identify promising scaffolds for further development. The integration of experimental data with computational insights has accelerated the process of identifying lead compounds for drug discovery pipelines. This interdisciplinary approach underscores the importance of 5-(3-Chlorophenyl)-2-methoxyphenol as a valuable asset in modern pharmaceutical research.
One of the most compelling aspects of 5-(3-Chlorophenyl)-2-methoxyphenol is its potential as a building block for more complex drug candidates. The chloro and methoxy groups provide reactive sites that can be further functionalized through various chemical transformations. For instance, palladium-catalyzed cross-coupling reactions can be employed to introduce additional aromatic rings or heterocyclic moieties, enhancing the molecular complexity and potentially improving pharmacokinetic profiles. Such modifications are crucial in developing drugs that exhibit higher selectivity and lower toxicity.
The pharmacokinetic properties of 5-(3-Chlorophenyl)-2-methoxyphenol are also under scrutiny to ensure its suitability for therapeutic use. Factors such as solubility, stability, absorption, distribution, metabolism, and excretion (ADME) are critical determinants of a drug’s efficacy and safety. Researchers are employing advanced analytical techniques like high-performance liquid chromatography (HPLC) and mass spectrometry (MS) to study these parameters. Understanding how the chloro and methoxy substituents influence these properties can guide optimization strategies aimed at improving bioavailability and reducing off-target effects.
Moreover, the environmental impact of synthesizing and handling 5-(3-Chlorophenyl)-2-methoxyphenol is an important consideration. Green chemistry principles are being increasingly adopted to develop sustainable synthetic routes that minimize waste and hazardous byproducts. Catalytic processes that improve atom economy and energy efficiency are being explored as alternatives to traditional methods. Such approaches not only align with regulatory requirements but also contribute to cost-effective production processes that are environmentally friendly.
The future prospects for 5-(3-Chlorophenyl)-2-methoxyphenol are bright, with ongoing research poised to unlock new therapeutic possibilities. Collaborative efforts between academia and industry are essential to translate laboratory findings into clinical applications. Preclinical studies involving cell culture assays and animal models will provide further insights into its biological activity before human trials can commence. The integration of artificial intelligence (AI) into drug discovery workflows is also expected to play a significant role in accelerating the development pipeline for compounds like 5-(3-Chlorophenyl)-2-methoxyphenol.
In conclusion,5-(3-Chlorophenyl)-2-methoxyphenol (CAS No: 1261947-38-9) represents a fascinating compound with immense potential in pharmaceutical research. Its unique structural features make it an attractive candidate for further exploration in drug development efforts aimed at addressing various diseases. As scientific methodologies continue to evolve, compounds like this one will undoubtedly contribute significantly to advancements in medicine.
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