1H-Isoindole-1,3(2H)-dione, 2-(4-oxocyclohexyl)-


Chemical Name: 1H-Isoindole-1,3(2H)-dione, 2-(4-oxocyclohexyl)-
CAS Number: 104618-32-8
Product Number: AG007GXI(AGN-PC-00JILQ)
Synonyms:
MDL No:
Molecular Formula: C14H13NO3
Molecular Weight: 243.2579

Identification/Properties


Computed Properties
Molecular Weight:
243.262g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
243.09g/mol
Monoisotopic Mass:
243.09g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
370
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-(4-Oxocyclohexyl)isoindoline-1,3-dione, commonly referred to as $name$, is a versatile compound that plays a crucial role in chemical synthesis. This compound is known for its ability to act as a key building block in the creation of various complex organic molecules.One of the primary applications of 2-(4-Oxocyclohexyl)isoindoline-1,3-dione in chemical synthesis is its utilization as a precursor in the synthesis of heterocyclic compounds. By serving as a starting material, this compound can undergo a series of reactions, such as cyclization and functional group transformations, to yield structurally diverse heterocycles. These heterocyclic compounds find wide-ranging applications in pharmaceuticals, agrochemicals, and materials science.Furthermore, 2-(4-Oxocyclohexyl)isoindoline-1,3-dione is a valuable reagent in the construction of biologically active molecules. Its unique structure and reactivity enable the introduction of specific functional groups and stereochemistry, which are essential for modulating the biological activity of compounds. This compound has been employed in the synthesis of natural products, pharmaceutical intermediates, and molecular probes for biological studies.Overall, the use of 2-(4-Oxocyclohexyl)isoindoline-1,3-dione in chemical synthesis showcases its significance in facilitating the efficient and strategic construction of complex organic molecules with diverse applications in various scientific fields.