Cas no 1892830-09-9 (Oxazole, 2-bromo-5-(methoxymethyl)-)
Oxazole, 2-bromo-5-(methoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Oxazole, 2-bromo-5-(methoxymethyl)-
- 2-Bromo-5-(methoxymethyl)oxazole
- EN300-7173339
- 1892830-09-9
- 2-bromo-5-(methoxymethyl)-1,3-oxazole
-
- Inchi: 1S/C5H6BrNO2/c1-8-3-4-2-7-5(6)9-4/h2H,3H2,1H3
- InChI Key: GGUDPKMQOCAEIC-UHFFFAOYSA-N
- SMILES: O1C(COC)=CN=C1Br
Computed Properties
- Exact Mass: 190.95819g/mol
- Monoisotopic Mass: 190.95819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 91
- 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
- Topological Polar Surface Area: 35.3?2
Experimental Properties
- Density: 1.589±0.06 g/cm3(Predicted)
- Boiling Point: 216.3±32.0 °C(Predicted)
- pka: -0.75±0.10(Predicted)
Oxazole, 2-bromo-5-(methoxymethyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-7173339-0.05g |
2-bromo-5-(methoxymethyl)-1,3-oxazole |
1892830-09-9 | 95% | 0.05g |
$252.0 | 2023-05-29 | |
| Enamine | EN300-7173339-0.1g |
2-bromo-5-(methoxymethyl)-1,3-oxazole |
1892830-09-9 | 95% | 0.1g |
$376.0 | 2023-05-29 | |
| Enamine | EN300-7173339-0.25g |
2-bromo-5-(methoxymethyl)-1,3-oxazole |
1892830-09-9 | 95% | 0.25g |
$538.0 | 2023-05-29 | |
| Enamine | EN300-7173339-0.5g |
2-bromo-5-(methoxymethyl)-1,3-oxazole |
1892830-09-9 | 95% | 0.5g |
$847.0 | 2023-05-29 | |
| Enamine | EN300-7173339-1.0g |
2-bromo-5-(methoxymethyl)-1,3-oxazole |
1892830-09-9 | 95% | 1g |
$1086.0 | 2023-05-29 | |
| Enamine | EN300-7173339-2.5g |
2-bromo-5-(methoxymethyl)-1,3-oxazole |
1892830-09-9 | 95% | 2.5g |
$2127.0 | 2023-05-29 | |
| Enamine | EN300-7173339-5.0g |
2-bromo-5-(methoxymethyl)-1,3-oxazole |
1892830-09-9 | 95% | 5g |
$3147.0 | 2023-05-29 | |
| Enamine | EN300-7173339-10.0g |
2-bromo-5-(methoxymethyl)-1,3-oxazole |
1892830-09-9 | 95% | 10g |
$4667.0 | 2023-05-29 | |
| 1PlusChem | 1P028PDD-50mg |
2-bromo-5-(methoxymethyl)-1,3-oxazole |
1892830-09-9 | 95% | 50mg |
$363.00 | 2024-06-17 | |
| 1PlusChem | 1P028PDD-100mg |
2-bromo-5-(methoxymethyl)-1,3-oxazole |
1892830-09-9 | 95% | 100mg |
$527.00 | 2024-06-17 |
Oxazole, 2-bromo-5-(methoxymethyl)- Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
Additional information on Oxazole, 2-bromo-5-(methoxymethyl)-
Introduction to Oxazole, 2-bromo-5-(methoxymethyl) and Its Significance in Modern Chemical Research
The compound Oxazole, 2-bromo-5-(methoxymethyl), identified by its CAS number 1892830-09-9, represents a fascinating molecule in the realm of heterocyclic chemistry. This compound belongs to the oxazole family, a class of heterocycles characterized by a five-membered ring containing two adjacent oxygen and nitrogen atoms. The structural features of Oxazole, 2-bromo-5-(methoxymethyl), particularly the presence of a bromine substituent at the 2-position and a methoxymethyl group at the 5-position, endow it with unique chemical properties that make it a valuable intermediate in synthetic chemistry and pharmaceutical research.
Historically, oxazoles have been studied for their broad spectrum of biological activities. They serve as key scaffolds in drug design due to their ability to mimic natural products and exhibit favorable interactions with biological targets. The introduction of halogen atoms, such as bromine, into the oxazole ring enhances its reactivity, making it more amenable to further functionalization. This property is particularly useful in cross-coupling reactions, which are fundamental to modern organic synthesis.
The bromine substituent at the 2-position of Oxazole, 2-bromo-5-(methoxymethyl) is strategically positioned to participate in palladium-catalyzed coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings. These reactions are widely employed in the construction of complex molecular architectures, including those found in novel therapeutic agents. The methoxymethyl group, on the other hand, provides a handle for further derivatization through oxidation or reduction processes, allowing chemists to fine-tune the electronic and steric properties of the molecule.
In recent years, there has been significant interest in developing new methodologies for the synthesis of functionalized oxazoles. The compound Oxazole, 2-bromo-5-(methoxymethyl) has emerged as a versatile building block in this context. For instance, researchers have utilized this molecule to develop novel strategies for constructing biologically active scaffolds. One notable example involves its use in the synthesis of oxazole-based kinase inhibitors, which have shown promise in preclinical studies for their ability to modulate signaling pathways implicated in cancer.
The utility of Oxazole, 2-bromo-5-(methoxymethyl) extends beyond its role as a synthetic intermediate. Its structural motif is also found in several natural products that exhibit potent biological activities. For example, certain fungal metabolites contain oxazole derivatives that possess antimicrobial properties. By leveraging the reactivity of this compound, chemists can explore new analogs with enhanced pharmacological profiles.
Advances in computational chemistry have further enhanced our understanding of how Oxazole, 2-bromo-5-(methoxymethyl) behaves in various chemical environments. Molecular modeling studies indicate that the presence of both bromine and methoxymethyl groups influences its conformational flexibility and electronic distribution. These insights are crucial for designing experiments aimed at optimizing its reactivity and selectivity in synthetic transformations.
The pharmaceutical industry has taken notice of the potential applications of Oxazole, 2-bromo-5-(methoxymethyl). Several drug discovery programs have incorporated this compound into their libraries due to its structural versatility and predicted bioactivity. Early-stage screening campaigns have identified derivatives with promising interactions with target proteins relevant to neurological disorders and inflammatory diseases. These findings underscore the importance of heterocyclic compounds like oxazoles in medicinal chemistry.
In conclusion,Oxazole, 2-bromo-5-(methoxymethyl) (CAS no: 1892830-09-9) is a compound of considerable interest in modern chemical research. Its unique structural features make it an excellent candidate for further functionalization and application in drug discovery efforts. As our understanding of organic synthesis and molecular interactions continues to evolve,Oxazole, 2-bromo-5-(methoxymethyl) is likely to play an increasingly important role in the development of new therapeutic agents.
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