3-(bromomethyl)-4-methyl-1,2-oxazole


Chemical Name: 3-(bromomethyl)-4-methyl-1,2-oxazole
CAS Number: 952195-21-0
Product Number: AG01DTE8(AG01DTE8)
Synonyms:
MDL No:
Molecular Formula: C5H6BrNO
Molecular Weight: 176.0112

Identification/Properties


Computed Properties
Molecular Weight:
176.013g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
174.963g/mol
Monoisotopic Mass:
174.963g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
78.8
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



3-(Bromomethyl)-4-methyl-1,2-oxazole, also known as $name$, is a versatile compound commonly used in chemical synthesis for the introduction of the bromomethyl group into various organic molecules. This unique derivative offers a convenient method for incorporating the bromomethyl functionality, which can serve as a valuable synthetic handle for further elaboration.In organic synthesis, 3-(Bromomethyl)-4-methyl-1,2-oxazole plays a crucial role as a bromomethylating agent, allowing chemists to selectively modify specific positions within a molecule. The bromomethyl group can participate in a wide range of subsequent reactions, such as nucleophilic substitution, palladium-catalyzed cross-coupling, or metal-catalyzed transformations, enabling the synthesis of complex organic compounds with precision and efficiency.Furthermore, the presence of the oxazole ring in the structure of this compound can impart unique properties to the final products, making it particularly valuable in the design and synthesis of bioactive molecules, pharmaceuticals, agrochemicals, and materials. By harnessing the reactivity of the bromomethyl group in conjunction with the oxazole motif, chemists can access diverse chemical space and create novel molecular architectures with tailored functionalities for various applications in drug discovery, materials science, and chemical biology.