tert-butyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-1-carboxylate


Chemical Name: tert-butyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-1-carboxylate
CAS Number: 1010814-94-4
Product Number: AG0003P6(AGN-PC-086EOG)
Synonyms:
MDL No:
Molecular Formula: C16H27NO5
Molecular Weight: 313.3893

Identification/Properties


Computed Properties
Molecular Weight:
313.394g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
313.189g/mol
Monoisotopic Mass:
313.189g/mol
Topological Polar Surface Area:
72.9A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
444
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



The tert-Butyl 3-(2-(tert-butoxy)-2-oxoethyl)-4-oxopiperidine-1-carboxylate is a versatile compound widely used in chemical synthesis as a key building block for the development of various organic molecules. Specifically, it serves as a valuable reagent in the creation of novel pharmaceutical intermediates and fine chemicals due to its unique structural features and reactivity.In chemical synthesis, this compound can act as a crucial starting material for the preparation of complex organic structures through a series of reactions such as acylation, alkylation, and cyclization. Its tert-butyl ester group provides steric hindrance and protects the carboxylate functionality, making it an ideal substrate for further functionalization.Furthermore, the presence of the piperidine ring in the molecule enhances its biological activity and potential as a lead compound in drug discovery efforts. By strategically modifying the functional groups attached to the piperidine scaffold, chemists can tailor the compound's properties to target specific receptors or enzymes, opening up possibilities for the development of new therapeutics.Overall, the tert-Butyl 3-(2-(tert-butoxy)-2-oxoethyl)-4-oxopiperidine-1-carboxylate plays a crucial role in the synthesis of diverse organic compounds with potential applications in pharmaceuticals, agrochemicals, and materials science. Its versatility and reactivity make it a valuable tool for chemists seeking to design and produce innovative molecules with specific functionalities and biological activities.