benzyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate


Chemical Name: benzyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
CAS Number: 167414-75-7
Product Number: AG001XDD(AGN-PC-0N4N4J)
Synonyms:
MDL No: MFCD04115570
Molecular Formula: C18H23NO5
Molecular Weight: 333.3789

Identification/Properties


Properties
BP:
461.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
333.384g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
8
Exact Mass:
333.158g/mol
Monoisotopic Mass:
333.158g/mol
Topological Polar Surface Area:
72.9A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
437
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



Benzyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate is a versatile compound used in chemical synthesis for the formation of various complex molecules. This compound is commonly employed as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and functional materials. Its unique structure allows for the introduction of a piperidine ring and an ethoxy-oxopropanoyl moiety into organic molecules, providing opportunities for the development of novel compounds with diverse biological and chemical properties. In the field of drug discovery, Benzyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate plays a crucial role in the creation of potential therapeutic agents targeting a wide range of diseases. Its application in chemical synthesis involves strategic bond formations and functional group manipulations, enabling the generation of structurally complex and biologically active molecules with tailored properties and activities.