Ethanone, 2,2-dibromo-1-(4-methylphenyl)-


Chemical Name: Ethanone, 2,2-dibromo-1-(4-methylphenyl)-
CAS Number: 13664-98-7
Product Number: AG00AFPA(AGN-PC-0O1AS1)
Synonyms:
MDL No:
Molecular Formula: C9H8Br2O
Molecular Weight: 291.9672

Identification/Properties


Computed Properties
Molecular Weight:
291.97g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
291.892g/mol
Monoisotopic Mass:
289.894g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
160
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



2,2-Dibromo-1-(4-methylphenyl)ethanone is a versatile compound widely utilized in chemical synthesis procedures for its unique properties and reactivity. This compound serves as a valuable building block in organic synthesis, particularly in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals. Its bromine functional groups significantly influence its chemical behavior, allowing for diverse transformations in synthetic routes.In chemical synthesis, 2,2-Dibromo-1-(4-methylphenyl)ethanone plays a crucial role as a brominated carbonyl compound. The bromine atoms attached to the ethanone backbone serve as strategic handles for further derivatization reactions. These bromine groups can undergo substitution reactions to introduce a variety of functional groups, enabling the synthesis of complex molecular structures. Additionally, the presence of the methylphenyl group provides steric and electronic effects that can impact the compound's reactivity and selectivity in subsequent chemical transformations.Furthermore, 2,2-Dibromo-1-(4-methylphenyl)ethanone can participate in cross-coupling reactions, such as the Suzuki-Miyaura coupling, to form biaryl compounds. This capability extends its utility in the construction of more elaborate organic molecules with diverse applications in medicinal chemistry, material science, and bioorganic chemistry. The compound's versatility and compatibility with various synthetic methods make it a valuable component in the toolbox of organic chemists for designing and accessing novel chemical entities.