Cas no 60743-19-3 (1-Methyl-2-(trimethoxymethyl)benzene)
1-Methyl-2-(trimethoxymethyl)benzene Chemical and Physical Properties
Names and Identifiers
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- 1-Methyl-2-(trimethoxymethyl)benzene
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- Inchi: 1S/C11H16O3/c1-9-7-5-6-8-10(9)11(12-2,13-3)14-4/h5-8H,1-4H3
- InChI Key: VWIGPMLVFMNEGG-UHFFFAOYSA-N
- SMILES: O(C)C(C1C=CC=CC=1C)(OC)OC
Computed Properties
- Exact Mass: 196.10998
- Monoisotopic Mass: 196.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 158
- 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: 1.7
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
1-Methyl-2-(trimethoxymethyl)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019089641-1g |
1-Methyl-2-(trimethoxymethyl)benzene |
60743-19-3 | 95% | 1g |
$400.00 | 2023-09-01 | |
| Crysdot LLC | CD12056237-5g |
1-Methyl-2-(trimethoxymethyl)benzene |
60743-19-3 | 95+% | 5g |
$671 | 2024-07-24 |
1-Methyl-2-(trimethoxymethyl)benzene Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
Additional information on 1-Methyl-2-(trimethoxymethyl)benzene
Professional Introduction to 1-Methyl-2-(trimethoxymethyl)benzene (CAS No: 60743-19-3)
1-Methyl-2-(trimethoxymethyl)benzene, chemically identified by the CAS number 60743-19-3, is a significant compound in the realm of organic chemistry and pharmaceutical research. This aromatic hydrocarbon derivative has garnered attention due to its unique structural properties and potential applications in synthetic chemistry and drug development. The compound features a benzene ring substituted with a methyl group at the 1-position and three methoxy groups at the 2-position, forming a highly functionalized aromatic system. This configuration imparts distinct reactivity patterns, making it a valuable intermediate in various chemical transformations.
The synthesis of 1-Methyl-2-(trimethoxymethyl)benzene typically involves multi-step organic reactions, often starting from commercially available precursors such as toluene or anisole. The introduction of the trimethoxymethyl group at the 2-position requires precise control over reaction conditions to ensure high yield and purity. Advanced synthetic methodologies, including palladium-catalyzed cross-coupling reactions and directed ortho-metalation strategies, have been employed to achieve regioselective modifications of the benzene core. These techniques highlight the compound's utility as a building block in constructing more complex molecular architectures.
In recent years, 1-Methyl-2-(trimethoxymethyl)benzene has found relevance in the development of novel pharmaceutical agents. Its aromatic framework serves as a scaffold for designing molecules with enhanced binding affinity to biological targets. For instance, derivatives of this compound have been explored as potential inhibitors of enzymes involved in metabolic pathways relevant to neurological disorders. The methoxy and methyl substituents provide opportunities for further functionalization, allowing chemists to tailor physicochemical properties such as solubility and metabolic stability. Such attributes are crucial for optimizing drug-like characteristics in lead compounds.
Moreover, the compound's structural motif has been investigated in materials science applications. The rigid aromatic core combined with electron-donating substituents makes it a candidate for organic semiconductors and liquid crystal displays (LCDs). Researchers have demonstrated its incorporation into π-conjugated systems, which exhibit desirable electronic properties for optoelectronic devices. The trimethoxymethyl group, while sterically bulky, can be strategically removed or modified to fine-tune electronic characteristics, showcasing the versatility of this intermediate.
The latest advancements in computational chemistry have further illuminated the potential of 1-Methyl-2-(trimethoxymethyl)benzene. Molecular modeling studies suggest that its derivatives could serve as ligands for metalloenzymes, offering insights into catalytic mechanisms and potential therapeutic interventions. These simulations have guided experimental efforts by predicting binding modes and interaction energies with biological targets. Such interdisciplinary approaches underscore the importance of integrating experimental synthesis with computational analysis to accelerate discovery in medicinal chemistry.
From an industrial perspective, the demand for 1-Methyl-2-(trimethoxymethyl)benzene is driven by its role in synthesizing specialty chemicals and fine intermediates. Manufacturers focus on optimizing production processes to meet stringent quality standards required by pharmaceutical companies. Continuous flow chemistry has emerged as a promising technique for scalable synthesis, offering improved efficiency and reduced environmental impact compared to traditional batch processes. These innovations align with global trends toward sustainable chemical manufacturing practices.
The compound's stability under various conditions has also been a subject of investigation. Studies on its photodegradation and thermal decomposition reveal that protective measures can be implemented during storage and handling to maintain integrity. Such knowledge is essential for ensuring consistent performance in downstream applications where purity is paramount. Additionally, analytical techniques such as high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy have been refined to accurately quantify 1-Methyl-2-(trimethoxymethyl)benzene and its derivatives in complex mixtures.
Future research directions may explore novel synthetic routes that minimize waste generation while maximizing atom economy. Green chemistry principles are increasingly influencing methodologies for producing this compound, emphasizing renewable feedstocks and environmentally benign processes. Collaborative efforts between academia and industry will be pivotal in translating these innovations into practical applications that benefit society.
In conclusion, 1-Methyl-2-(trimethoxymethyl)benzene (CAS No: 60743-19-3) represents a versatile intermediate with broad utility across multiple scientific disciplines. Its unique structural features enable diverse applications ranging from pharmaceutical development to advanced materials engineering. As research progresses, continued exploration of its chemical space promises to yield further insights into its potential contributions to science and technology.
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