8-acetyl-5-phenylmethoxy-4H-1,4-benzoxazin-3-one


Chemical Name: 8-acetyl-5-phenylmethoxy-4H-1,4-benzoxazin-3-one
CAS Number: 1035229-32-3
Product Number: AG0097OX(AGN-PC-0C8C68)
Synonyms:
MDL No:
Molecular Formula: C17H15NO4
Molecular Weight: 297.3053

Identification/Properties


Computed Properties
Molecular Weight:
297.31g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
297.1g/mol
Monoisotopic Mass:
297.1g/mol
Topological Polar Surface Area:
64.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
419
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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Chemical Structure



8-Acetyl-5-(benzyloxy)-2H-benzo[b][1,4]oxazin-3(4H)-one is a versatile compound used in chemical synthesis for various applications. When it comes to synthesis, this compound is particularly valuable due to its regioselectivity and functional group compatibility. Its unique structure allows for specific modifications and transformations that can lead to the creation of complex molecules with desired properties.In chemical synthesis, 8-Acetyl-5-(benzyloxy)-2H-benzo[b][1,4]oxazin-3(4H)-one can be utilized as a key building block in the creation of diverse organic compounds. Its acetyl and benzyloxy groups serve as handles for further derivatization, enabling the introduction of various functional groups at specific positions. This compound can undergo reactions such as nucleophilic substitution, reduction, and oxidation to yield products with tailored structures and properties.Furthermore, the presence of the oxazin ring in 8-Acetyl-5-(benzyloxy)-2H-benzo[b][1,4]oxazin-3(4H)-one offers additional opportunities for molecular diversification. The oxazin ring provides a site for additional functionalization, enabling the incorporation of heteroatoms or other substituents that can enhance the chemical and biological properties of the final products.Overall, 8-Acetyl-5-(benzyloxy)-2H-benzo[b][1,4]oxazin-3(4H)-one is a valuable tool in chemical synthesis, offering chemists a strategic starting point for the creation of novel organic molecules with tailored structures and functionalities. Its versatility and reactivity make it a valuable asset in the toolbox of synthetic chemists seeking to explore new avenues in molecular design and synthesis.