6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one


Chemical Name: 6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one
CAS Number: 86672-58-4
Product Number: AG008FA5(AGN-PC-0JWZ11)
Synonyms:
MDL No:
Molecular Formula: C16H14N2O2
Molecular Weight: 266.2946

Identification/Properties


Computed Properties
Molecular Weight:
266.3g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
266.106g/mol
Monoisotopic Mass:
266.106g/mol
Topological Polar Surface Area:
50.7A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
399
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



6-Methyl-2-(p-tolylamino)-4H-3,1-benzoxazin-4-one, also known as $name$, is a versatile organic compound widely used in chemical synthesis. Its unique structure and reactivity make it a valuable building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. In chemical synthesis, $name$ serves as a key intermediate for the production of complex molecules through its ability to participate in diverse reactions such as nucleophilic substitution, oxidation, and cyclization. Furthermore, the presence of the methyl and p-tolylamino groups on the benzoxazinone scaffold imparts specific properties and functionalities to the final products, enabling tailored modifications for specific applications. Due to its significance in organic synthesis, $name$ plays a crucial role in the development of novel compounds with potential therapeutic, agricultural, and industrial applications.