3,9-Diazaspiro[5.5]undecane-2,4-dione, 9-(phenylmethyl)-


Chemical Name: 3,9-Diazaspiro[5.5]undecane-2,4-dione, 9-(phenylmethyl)-
CAS Number: 189333-48-0
Product Number: AG002IB4(AGN-PC-0JO3F4)
Synonyms:
MDL No:
Molecular Formula: C16H20N2O2
Molecular Weight: 272.3422

Identification/Properties


Computed Properties
Molecular Weight:
272.348g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
272.152g/mol
Monoisotopic Mass:
272.152g/mol
Topological Polar Surface Area:
49.4A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
362
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



9-Benzyl-3,9-diazaspiro[5.5]undecane-2,4-dione is a versatile compound used in chemical synthesis for its unique structural properties and reactivity. In organic chemistry, this compound serves as a valuable building block for the synthesis of various heterocyclic compounds and pharmacologically active molecules. Its spirocyclic structure containing both nitrogen and oxygen atoms makes it a useful reagent in the preparation of complex organic molecules.One of the key applications of 9-Benzyl-3,9-diazaspiro[5.5]undecane-2,4-dione is in the synthesis of biologically active compounds, particularly in the development of pharmaceuticals. By incorporating this compound into the molecular structure of drug candidates, researchers can modulate the compound's physicochemical properties and biological activity. Additionally, its spirocyclic framework imparts steric hindrance and conformational rigidity, which are often desirable features in drug design to enhance specificity and potency.Furthermore, 9-Benzyl-3,9-diazaspiro[5.5]undecane-2,4-dione can also be utilized as a precursor for the synthesis of ligands for coordination chemistry or as a chiral auxiliary in asymmetric synthesis. Its ability to undergo selective functionalizations at the benzylic or nitrogen positions allows for the introduction of various functional groups, enabling the formation of diverse chemical structures with tailored properties.Overall, 9-Benzyl-3,9-diazaspiro[5.5]undecane-2,4-dione plays a crucial role in chemical synthesis by providing a versatile platform for the construction of complex molecules with diverse applications in pharmaceuticals, materials science, and other areas of chemical research.