1,4-Dioxaspiro[4.5]decan-2-one


Chemical Name: 1,4-Dioxaspiro[4.5]decan-2-one
CAS Number: 4423-79-4
Product Number: AG003FCK(AGN-PC-0JSN12)
Synonyms:
MDL No:
Molecular Formula: C8H12O3
Molecular Weight: 156.1791

Identification/Properties


Properties
MP:
32-35℃ (lit.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
156.181g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
156.079g/mol
Monoisotopic Mass:
156.079g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
170
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1,4-Dioxaspiro[4.5]decan-2-one, a versatile compound commonly utilized in chemical synthesis, serves as a crucial building block in a wide range of organic reactions. Its unique molecular structure and reactivity make it an invaluable tool for the creation of various advanced organic molecules and pharmaceutical intermediates. This compound is frequently employed as a key ingredient in the synthesis of heterocyclic compounds, including spirocycles, which are essential in drug discovery and medicinal chemistry. Furthermore, 1,4-Dioxaspiro[4.5]decan-2-one is known for its ability to participate in diverse reactions such as cycloadditions, cyclizations, and functional group transformations, making it a highly sought-after compound in the field of organic synthesis. Its successful incorporation into multi-step synthesis strategies has enabled chemists to access complex molecular architectures with enhanced efficiency and precision.