Cas no 936249-94-4 (2-Bromo-1-(difluoromethoxy)-4-fluorobenzene)
2-Bromo-1-(difluoromethoxy)-4-fluorobenzene Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-1-(difluoromethoxy)-4-fluorobenzene
- 2-Bromo-1-difluoromethoxy-4-fluoro-benzene
- 2-(Difluoromethoxy)-5-fluorobromobenzene
- TQU0280
- OQANLAKJTFXSQM-UHFFFAOYSA-N
- NE17325
- 3-Bromo-4-(difluoromethoxy)fluorobenzene
- AK326847
- 3-bromo-4-(difluoromethoxy)-1-fluorobenzene
- Z55672060
- DTXSID70640811
- A916586
- MFCD09935620
- CS-0139188
- EN300-127078
- 936249-94-4
- AKOS000177964
- PS-11657
- SCHEMBL1438674
- SY078423
- 2-Bromo-1-(difluoromethoxy)-4-fluorobenzene
-
- MDL: MFCD09935620
- Inchi: 1S/C7H4BrF3O/c8-5-3-4(9)1-2-6(5)12-7(10)11/h1-3,7H
- InChI Key: OQANLAKJTFXSQM-UHFFFAOYSA-N
- SMILES: BrC1C=C(C=CC=1OC(F)F)F
Computed Properties
- Exact Mass: 239.94000
- Monoisotopic Mass: 239.93976g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- 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: 3.6
- Topological Polar Surface Area: 9.2
Experimental Properties
- PSA: 9.23000
- LogP: 3.18960
2-Bromo-1-(difluoromethoxy)-4-fluorobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013001466-250mg |
3-Bromo-4-(difluoromethoxy)fluorobenzene |
936249-94-4 | 97% | 250mg |
$504.00 | 2023-08-31 | |
| Alichem | A013001466-500mg |
3-Bromo-4-(difluoromethoxy)fluorobenzene |
936249-94-4 | 97% | 500mg |
$798.70 | 2023-08-31 | |
| Alichem | A013001466-1g |
3-Bromo-4-(difluoromethoxy)fluorobenzene |
936249-94-4 | 97% | 1g |
$1475.10 | 2023-08-31 | |
| TRC | B800803-10mg |
2-Bromo-1-(difluoromethoxy)-4-fluorobenzene |
936249-94-4 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B800803-50mg |
2-Bromo-1-(difluoromethoxy)-4-fluorobenzene |
936249-94-4 | 50mg |
$ 185.00 | 2022-06-06 | ||
| TRC | B800803-100mg |
2-Bromo-1-(difluoromethoxy)-4-fluorobenzene |
936249-94-4 | 100mg |
$ 275.00 | 2022-06-06 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B827262-1g |
2-bromo-1-(difluoromethoxy)-4-fluorobenzene |
936249-94-4 | ≥95% | 1g |
5,360.40 | 2021-05-17 | |
| Apollo Scientific | PC53074-250mg |
2-(Difluoromethoxy)-5-fluorobromobenzene |
936249-94-4 | 97% | 250mg |
£121.00 | 2025-02-21 | |
| Apollo Scientific | PC53074-1g |
2-(Difluoromethoxy)-5-fluorobromobenzene |
936249-94-4 | 97% | 1g |
£436.00 | 2025-02-21 | |
| Apollo Scientific | PC53074-5g |
2-(Difluoromethoxy)-5-fluorobromobenzene |
936249-94-4 | 97% | 5g |
£1935.00 | 2025-02-21 |
2-Bromo-1-(difluoromethoxy)-4-fluorobenzene Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
Additional information on 2-Bromo-1-(difluoromethoxy)-4-fluorobenzene
Recent Advances in the Application of 2-Bromo-1-(difluoromethoxy)-4-fluorobenzene (CAS: 936249-94-4) in Chemical Biology and Pharmaceutical Research
The compound 2-Bromo-1-(difluoromethoxy)-4-fluorobenzene (CAS: 936249-94-4) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and versatile applications. This halogenated aromatic compound, characterized by the presence of bromine, fluorine, and a difluoromethoxy group, serves as a critical intermediate in the synthesis of various bioactive molecules. Recent studies have highlighted its role in the development of novel therapeutic agents, particularly in the areas of oncology, neurology, and infectious diseases.
One of the most notable applications of 2-Bromo-1-(difluoromethoxy)-4-fluorobenzene is its use as a key building block in the synthesis of small-molecule inhibitors targeting protein kinases. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its utility in the development of potent and selective inhibitors for the epidermal growth factor receptor (EGFR), a well-validated target in cancer therapy. The researchers employed a structure-activity relationship (SAR) approach, leveraging the compound's halogenated aromatic core to optimize binding affinity and pharmacokinetic properties. The resulting inhibitors exhibited nanomolar potency against EGFR mutants associated with resistance to first-generation therapies.
In addition to its role in kinase inhibitor development, 2-Bromo-1-(difluoromethoxy)-4-fluorobenzene has been explored as a precursor for radiopharmaceuticals. A recent study in the European Journal of Nuclear Medicine and Molecular Imaging reported its use in the synthesis of fluorine-18 labeled tracers for positron emission tomography (PET) imaging. The difluoromethoxy group, in particular, was found to enhance the metabolic stability of the tracers, improving their in vivo performance. This advancement holds promise for the non-invasive detection and monitoring of neurological disorders such as Alzheimer's disease.
From a synthetic chemistry perspective, the compound's reactivity has been the subject of several mechanistic investigations. A 2024 publication in Organic Letters detailed a palladium-catalyzed cross-coupling reaction involving 2-Bromo-1-(difluoromethoxy)-4-fluorobenzene, which enabled the efficient construction of complex biaryl structures. The study provided insights into the influence of the difluoromethoxy group on the reaction kinetics and selectivity, offering valuable guidelines for the design of similar transformations.
Looking ahead, the versatility of 2-Bromo-1-(difluoromethoxy)-4-fluorobenzene is expected to drive further innovation in drug discovery and chemical biology. Ongoing research is exploring its potential in the development of covalent inhibitors, proteolysis-targeting chimeras (PROTACs), and other emerging therapeutic modalities. As the field continues to evolve, this compound is likely to remain a focal point of interdisciplinary research efforts aimed at addressing unmet medical needs.
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