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CAS 898762-58-8

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Ethyl 3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-γ-oxobenzenebutanoate

Description:
Ethyl 3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-γ-oxobenzenebutanoate, identified by its CAS number 898762-58-8, is a synthetic organic compound characterized by its complex molecular structure, which includes a spirocyclic moiety and multiple functional groups. The presence of the ethyl ester group suggests it may exhibit properties typical of esters, such as volatility and solubility in organic solvents. The compound features a dioxane ring and an azaspiro structure, which can influence its reactivity and biological activity. Its γ-oxo group indicates potential for keto-enol tautomerism, which may affect its chemical behavior. The compound's unique structure may confer specific pharmacological properties, making it of interest in medicinal chemistry. However, detailed studies on its physical properties, such as melting point, boiling point, and solubility, as well as its biological activity, would be necessary to fully understand its characteristics and potential applications. As with many synthetic compounds, safety data and handling precautions should be considered when working with this substance.
Formula:C20H27NO5
InChI:InChI=1S/C20H27NO5/c1-2-24-19(23)7-6-18(22)17-5-3-4-16(14-17)15-21-10-8-20(9-11-21)25-12-13-26-20/h3-5,14H,2,6-13,15H2,1H3
InChI key:InChIKey=HWWWPSFSVAXJDM-UHFFFAOYSA-N
SMILES:C(N1CCC2(CC1)OCCO2)C3=CC(C(CCC(OCC)=O)=O)=CC=C3
Synonyms:
  • Ethyl 4-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-4-oxobutanoate
  • Ethyl 3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-γ-oxobenzenebutanoate
  • Benzenebutanoic acid, 3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-γ-oxo-, ethyl ester
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