Cas no 206860-47-1 (2-Bromo-3,5-dimethoxy-1-fluorobenzene)
2-Bromo-3,5-dimethoxy-1-fluorobenzene Chemical and Physical Properties
Names and Identifiers
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- 2-Bromo-1-fluoro-3,5-dimethoxybenzene
- 2-BROMO-3,5-DIMETHOXY-1-FLUOROBENZENE
- Benzene,2-bromo-1-fluoro-3,5-dimethoxy-
- 2-bromo1-fluoro-3,5-dimethoxybenzene
- 2-bromo-1-fluoro-3, 5-dimethoxybenzene
- AKOS015891152
- 206860-47-1
- DGHHLXADLQCVKV-UHFFFAOYSA-N
- MFCD00191848
- AC-1771
- SCHEMBL1042615
- EN300-7408760
- Z1269206754
- A814812
- DTXSID40350839
- CS-0120726
- Benzene, 2-bromo-1-fluoro-3,5-dimethoxy-
- AS-33071
- FT-0687021
- 2-bromo-1-fluoro-3,5-dimethoxy-benzene
- 2-Bromo-3,5-dimethoxy-1-fluorobenzene
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- MDL: MFCD00191848
- Inchi: 1S/C8H8BrFO2/c1-11-5-3-6(10)8(9)7(4-5)12-2/h3-4H,1-2H3
- InChI Key: DGHHLXADLQCVKV-UHFFFAOYSA-N
- SMILES: BrC1=C(C=C(C=C1OC)OC)F
Computed Properties
- Exact Mass: 233.96900
- Monoisotopic Mass: 233.96917g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 145
- 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: 18.5?2
Experimental Properties
- Density: 1.489±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 51-52?°C(lit.)
- Boiling Point: 230.2±35.0 oC (760 Torr),
- Flash Point: 113.1±10.2 oC,
- Solubility: Very slightly soluble (0.56 g/l) (25 o C),
- PSA: 18.46000
- LogP: 2.60540
2-Bromo-3,5-dimethoxy-1-fluorobenzene Security Information
- Hazard Statement: Irritant
- Hazard Category Code: 36/37/38
- Safety Instruction: S26; S36/37/39; S36
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Hazardous Material Identification:
- Risk Phrases:R36/37/38
2-Bromo-3,5-dimethoxy-1-fluorobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013023848-5g |
2-Bromo-3,5-dimethoxy-1-fluorobenzene |
206860-47-1 | 95% | 5g |
$965.90 | 2023-09-02 | |
| Chemenu | CM277001-5g |
2-Bromo-1-fluoro-3,5-dimethoxybenzene |
206860-47-1 | 95% | 5g |
$695 | 2021-06-16 | |
| TRC | B700413-50mg |
2-Bromo-3,5-dimethoxy-1-fluorobenzene |
206860-47-1 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B700413-100mg |
2-Bromo-3,5-dimethoxy-1-fluorobenzene |
206860-47-1 | 100mg |
$ 65.00 | 2022-06-06 | ||
| TRC | B700413-500mg |
2-Bromo-3,5-dimethoxy-1-fluorobenzene |
206860-47-1 | 500mg |
$ 160.00 | 2022-06-06 | ||
| Chemenu | CM277001-5g |
2-Bromo-1-fluoro-3,5-dimethoxybenzene |
206860-47-1 | 95% | 5g |
$695 | 2022-06-12 | |
| Crysdot LLC | CD12097379-5g |
2-Bromo-1-fluoro-3,5-dimethoxybenzene |
206860-47-1 | 95+% | 5g |
$736 | 2024-07-24 | |
| A2B Chem LLC | AB17392-100mg |
2-Bromo-3,5-dimethoxy-1-fluorobenzene |
206860-47-1 | 100mg |
$40.00 | 2024-04-20 | ||
| Enamine | EN300-7408760-0.05g |
2-bromo-1-fluoro-3,5-dimethoxybenzene |
206860-47-1 | 95.0% | 0.05g |
$94.0 | 2025-02-20 | |
| Enamine | EN300-7408760-0.1g |
2-bromo-1-fluoro-3,5-dimethoxybenzene |
206860-47-1 | 95.0% | 0.1g |
$140.0 | 2025-02-20 |
2-Bromo-3,5-dimethoxy-1-fluorobenzene Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
Additional information on 2-Bromo-3,5-dimethoxy-1-fluorobenzene
Introduction to 2-Bromo-3,5-dimethoxy-1-fluorobenzene (CAS No. 206860-47-1)
2-Bromo-3,5-dimethoxy-1-fluorobenzene, with the chemical formula C?H?BrFNO?, is a fluorinated aromatic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound belongs to a class of molecules known for their versatile applications in medicinal chemistry, particularly as intermediates in the synthesis of biologically active agents. The presence of both bromine and fluorine substituents, along with methoxy groups at specific positions, imparts unique electronic and steric properties that make it a valuable building block for further functionalization.
The CAS number 206860-47-1 uniquely identifies this compound in scientific literature and databases, ensuring precise referencing and consistency across different research studies. The structural features of 2-Bromo-3,5-dimethoxy-1-fluorobenzene make it particularly interesting for the development of novel therapeutic agents. The bromine atom, for instance, serves as a versatile handle for further chemical transformations, such as cross-coupling reactions, which are widely employed in the synthesis of complex organic molecules. Similarly, the fluorine substituent can influence the metabolic stability and pharmacokinetic properties of derivatives, making it a critical consideration in drug design.
In recent years, there has been a growing interest in fluorinated aromatic compounds due to their potential advantages over non-fluorinated analogs. Fluorine atoms can enhance the binding affinity of drug candidates to biological targets by improving lipophilicity and reducing metabolic degradation. Additionally, the methoxy groups in 2-Bromo-3,5-dimethoxy-1-fluorobenzene contribute to its solubility and stability, which are crucial factors in pharmaceutical formulations. These properties have made this compound a focal point in research aimed at developing new treatments for various diseases.
One of the most compelling applications of 2-Bromo-3,5-dimethoxy-1-fluorobenzene lies in its role as a precursor for synthesizing small-molecule inhibitors targeting specific biological pathways. For example, researchers have explored its utility in creating kinase inhibitors, which are essential in treating cancers and inflammatory diseases. The bromine atom allows for easy introduction of other functional groups via palladium-catalyzed cross-coupling reactions, such as Suzuki or Stille couplings, enabling the construction of diverse molecular architectures. This flexibility has been leveraged to develop compounds with enhanced efficacy and reduced side effects.
The pharmaceutical industry has also investigated 2-Bromo-3,5-dimethoxy-1-fluorobenzene for its potential in developing antiviral and antibacterial agents. The unique electronic environment created by the combination of bromine and fluorine substituents can modulate the interactions between drug candidates and viral or bacterial enzymes. Recent studies have demonstrated that derivatives of this compound exhibit promising activity against resistant strains of pathogens. Such findings highlight the importance of exploring structurally diverse scaffolds like 2-Bromo-3,5-dimethoxy-1-fluorobenzene in the quest for novel antimicrobial therapies.
Moreover, agrochemical researchers have recognized the value of 2-Bromo-3,5-dimethoxy-1-fluorobenzene as a key intermediate in developing advanced pesticides and herbicides. The compound's ability to undergo selective functionalization allows chemists to design molecules that target specific pests while minimizing environmental impact. Fluorinated aromatic compounds have shown particular promise in this area due to their improved stability and bioavailability. As sustainable agriculture becomes increasingly important, the demand for innovative agrochemical solutions is expected to drive further exploration of derivatives based on 2-Bromo-3,5-dimethoxy-1-fluorobenzene.
The synthesis of 2-Bromo-3,5-dimethoxy-1-fluorobenzene itself is an intriguing challenge that has been addressed through various methodologies. Traditional approaches often involve multi-step sequences starting from readily available aromatic precursors. However, recent advances in synthetic chemistry have enabled more efficient routes to this compound. For instance, one such method involves a sequence of halogenation followed by selective methylation and fluorination reactions. These improvements not only streamline the synthesis but also enhance scalability, which is critical for industrial applications.
In conclusion,2-Bromo-3,5-dimethoxy-1-fluorobenzene (CAS No. 206860-47-1) represents a fascinating molecule with broad applications across multiple sectors of chemical research. Its structural features make it an excellent candidate for further derivatization into biologically active compounds. As our understanding of drug design and agrochemical development continues to evolve,2-Bromo-3,5-dimethoxy-1-fluorobenzene is poised to play an increasingly significant role in addressing global challenges related to health and agriculture.
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