Cas no 706786-42-7 (Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy-)
Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy-
- 3,5-Difluoro-4-methoxybenzyl bromide
- AGN-PC-01LRCQ
- CTK2G2891
- JRD-1432
- MolPort-000-166-075
- PC6033
- SBB098720
- SureCN3769931
- JS-4271
- MFCD04115916
- DTXSID80590631
- EN300-4255975
- 5-(bromomethyl)-1,3-difluoro-2-methoxybenzene
- SCHEMBL3769931
- 3,4-Difluoro-4-methoxybenzyl Bromide
- AKOS015956506
- 3,5-Difluoro-4-methoxybenzylbromide
- SY228181
- E76395
- 706786-42-7
- IQTBMXJVMUSGSL-UHFFFAOYSA-N
- 4-(Bromomethyl)-2,6-difluoroanisole, 4-(Bromomethyl)-2,6-difluorophenyl methyl ether, 5-(Bromomethyl)-1,3-difluoro-2-methoxybenzene
- XH0443
-
- MDL: MFCD04115916
- Inchi: 1S/C8H7BrF2O/c1-12-8-6(10)2-5(4-9)3-7(8)11/h2-3H,4H2,1H3
- InChI Key: IQTBMXJVMUSGSL-UHFFFAOYSA-N
- SMILES: BrCC1C=C(C(=C(C=1)F)OC)F
Computed Properties
- Exact Mass: 235.96483g/mol
- Monoisotopic Mass: 235.96483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 133
- 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: 2.7
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Melting Point: 39-42℃
- Water Partition Coefficient: Insoluble in water.
Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy- Security Information
- HazardClass:8
- PackingGroup:III
Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy- Pricemore >>
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Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy- Related Literature
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
Additional information on Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy-
Introduction to Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy- (CAS No. 706786-42-7)
Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy- (CAS No. 706786-42-7) is a fluorinated aromatic compound that has garnered significant attention in the field of pharmaceutical and chemical research due to its unique structural properties and potential applications. This compound belongs to a class of molecules that exhibit both electrophilic and nucleophilic characteristics, making it a versatile intermediate in synthetic chemistry.
The presence of multiple functional groups, including a bromomethyl substituent and fluoro atoms, enhances its reactivity and makes it a valuable building block for the synthesis of more complex molecules. The 1,3-difluoro moiety introduces additional electronic effects that can influence the compound's interactions with biological targets, which is particularly relevant in drug discovery.
In recent years, there has been growing interest in fluorinated aromatic compounds due to their improved metabolic stability and bioavailability compared to their non-fluorinated counterparts. This trend has driven extensive research into developing new methods for incorporating fluorine atoms into drug candidates. Benzene derivatives with fluoro substituents are known to exhibit enhanced binding affinities and selectivity towards various biological receptors.
The 2-methoxy group in Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy- further contributes to its chemical diversity by providing a site for further functionalization. This allows researchers to tailor the compound's properties for specific applications, such as the development of novel agrochemicals or advanced materials. The bromomethyl group, in particular, is a reactive handle that can be used for cross-coupling reactions, enabling the construction of more complex molecular architectures.
Recent studies have highlighted the potential of this compound in the synthesis of kinase inhibitors, which are critical targets in oncology research. The combination of fluoro and bromomethyl groups can modulate the electronic properties of the molecule, leading to improved binding to protein targets. This has led to several innovative approaches in medicinal chemistry where this compound serves as a key intermediate.
The pharmaceutical industry has also explored the use of benzene derivatives with fluoro substituents for their ability to enhance drug penetration across biological membranes. The fluoro group can increase lipophilicity while maintaining metabolic stability, making these compounds attractive candidates for oral and topical formulations. Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy-, with its unique combination of functional groups, aligns well with these requirements.
In addition to its pharmaceutical applications, this compound has shown promise in materials science. Fluorinated aromatic compounds are widely used in the development of liquid crystals and organic electronics due to their favorable thermal and electronic properties. The presence of multiple substituents in Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy-, allows for fine-tuning of these properties, making it a valuable precursor for advanced material synthesis.
The synthesis of Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy-, involves multi-step organic transformations that highlight the ingenuity of modern synthetic chemistry. Researchers have developed efficient protocols for introducing fluorine atoms into aromatic rings while maintaining regioselectivity. These methods often involve palladium-catalyzed cross-coupling reactions or electrochemical fluorination techniques.
The bromomethyl group provides a convenient entry point for further derivatization through nucleophilic substitution reactions. This reactivity has been exploited in the development of novel biocidal agents and corrosion inhibitors. The combination of these functional groups makes Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy-, a versatile tool for addressing diverse chemical challenges.
In conclusion, Benzene, 5-(bromomethyl)-1,3-difluoro-2-methoxy- (CAS No. 706786-42-7) is a multifunctional compound with significant potential in pharmaceuticals and materials science. Its unique structural features enable its use as an intermediate in the synthesis of complex molecules with tailored properties. As research continues to uncover new applications for fluorinated aromatic compounds, this compound is likely to play an increasingly important role in scientific advancements.
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