Cas no 1226180-23-9 (2,6-Dimethoxy(difluoromethoxy)benzene)
2,6-Dimethoxy(difluoromethoxy)benzene Chemical and Physical Properties
Names and Identifiers
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- 2,6-Dimethoxy(difluoromethoxy)benzene
- 2-(difluoromethoxy)-1,3-dimethoxybenzene
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- Inchi: 1S/C9H10F2O3/c1-12-6-4-3-5-7(13-2)8(6)14-9(10)11/h3-5,9H,1-2H3
- InChI Key: LPZMHUCJDBUNCO-UHFFFAOYSA-N
- SMILES: FC(OC1C(=CC=CC=1OC)OC)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 154
- XLogP3: 2.5
- Topological Polar Surface Area: 27.7
2,6-Dimethoxy(difluoromethoxy)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013000996-250mg |
2,6-Dimethoxy(difluoromethoxy)benzene |
1226180-23-9 | 97% | 250mg |
$504.00 | 2023-09-03 | |
| Alichem | A013000996-500mg |
2,6-Dimethoxy(difluoromethoxy)benzene |
1226180-23-9 | 97% | 500mg |
$806.85 | 2023-09-03 | |
| Alichem | A013000996-1g |
2,6-Dimethoxy(difluoromethoxy)benzene |
1226180-23-9 | 97% | 1g |
$1564.50 | 2023-09-03 |
2,6-Dimethoxy(difluoromethoxy)benzene Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
Additional information on 2,6-Dimethoxy(difluoromethoxy)benzene
Introduction to 2,6-Dimethoxy(difluoromethoxy)benzene (CAS No: 1226180-23-9)
2,6-Dimethoxy(difluoromethoxy)benzene, identified by the Chemical Abstracts Service Number (CAS No) 1226180-23-9, is a versatile aromatic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound belongs to the class of methoxylated aromatic hydrocarbons, characterized by the presence of both methoxy (-OCH?) and difluoromethoxy (-OCH?F) substituents on a benzene ring. The unique structural configuration of this molecule imparts distinct chemical properties, making it a valuable intermediate in synthetic chemistry and a potential candidate for various applications.
The structure of 2,6-Dimethoxy(difluoromethoxy)benzene consists of a benzene core substituted at the 2- and 6-positions with methoxy groups and at the 3-position with a difluoromethoxy group. This arrangement creates a molecule with electron-rich regions due to the electron-donating nature of the methoxy groups, while the electron-withdrawing effect of the difluoromethoxy group introduces steric and electronic modulation. Such structural features are highly beneficial in designing molecules with specific biological activities.
In recent years, there has been growing interest in aromatic compounds with multiple substituents for their potential applications in drug discovery. The combination of methoxy and difluoromethoxy groups in 2,6-Dimethoxy(difluoromethoxy)benzene makes it an attractive scaffold for developing novel pharmacophores. The presence of these substituents can influence both the solubility and metabolic stability of derivatives, which are critical factors in pharmaceutical development.
One of the most compelling aspects of 2,6-Dimethoxy(difluoromethoxy)benzene is its utility as a building block in organic synthesis. The reactive sites on the benzene ring can be further functionalized through various chemical reactions, such as halogenation, nitration, or coupling reactions, to produce more complex molecules. These derivatives have shown promise in various applications, including the synthesis of agrochemicals and specialty chemicals.
Recent research has highlighted the role of methoxylated aromatic compounds in medicinal chemistry. Studies have demonstrated that molecules containing methoxy groups exhibit enhanced bioavailability and reduced toxicity compared to their non-methylated counterparts. The introduction of a difluoromethoxy group further modulates these properties, leading to compounds with improved pharmacokinetic profiles. For instance, derivatives of 2,6-Dimethoxy(difluoromethoxy)benzene have been investigated for their potential as kinase inhibitors, showing promising results in preclinical studies.
The synthesis of 2,6-Dimethoxy(difluoromethoxy)benzene typically involves multi-step organic reactions starting from commercially available precursors. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions and transition metal-catalyzed oxygenations, have been employed to achieve high yields and purity. These synthetic routes are not only efficient but also scalable, making 1226180-23-9 an accessible compound for industrial applications.
In addition to its pharmaceutical applications, 2,6-Dimethoxy(difluoromethoxy)benzene has found utility in agrochemical research. The structural features of this compound make it a suitable candidate for developing novel herbicides and pesticides. Researchers have explored its derivatives as potent inhibitors of plant growth regulators, demonstrating their efficacy in controlling weeds without harming crops. This aligns with the growing demand for environmentally friendly agrochemicals that minimize ecological impact.
The chemical properties of 1226180-23-9 also make it an interesting subject for computational chemistry studies. Molecular modeling techniques have been used to predict the interactions between this compound and biological targets, providing insights into its mechanism of action. These computational approaches complement experimental studies and accelerate the discovery process by identifying promising candidates for further investigation.
Future research directions for 2,6-Dimethoxy(difluoromethoxy)benzene include exploring its role in developing treatments for neurological disorders. Preliminary studies suggest that derivatives of this compound may interact with specific neurotransmitter receptors, offering potential therapeutic benefits. As our understanding of complex biological systems continues to evolve, compounds like 1226180-23-9 will play a crucial role in unraveling disease mechanisms and discovering novel therapeutics.
The versatility of CAS No: 1226180-23-9 extends beyond pharmaceuticals into materials science. Its aromatic structure and functional groups make it a candidate for developing advanced materials with unique electronic properties. For example, researchers have investigated its use in creating organic semiconductors and liquid crystals due to its ability to form stable π-conjugated systems.
In conclusion,2,6-Dimethoxy(difluoromethoxy)benzene (CAS No: 1226180-23-9) is a multifaceted compound with significant potential across multiple domains including pharmaceuticals、agrochemicals、and materials science。 Its unique structural features,combined with its synthetic accessibility,make it an invaluable asset for researchers seeking to develop novel compounds with tailored properties。 As scientific understanding progresses,the applications of this compound are expected to expand,further solidifying its importance in modern chemistry。
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