tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate


Chemical Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
CAS Number: 193537-11-0
Product Number: AG00ANHS(AGN-PC-00BEQP)
Synonyms:
MDL No:
Molecular Formula: C15H22N2O4
Molecular Weight: 294.3462

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
294.351g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
294.158g/mol
Monoisotopic Mass:
294.158g/mol
Topological Polar Surface Area:
79.6A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
484
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Tert-Butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate is a versatile compound widely used in chemical synthesis due to its unique reactivity and functional group compatibility. This compound serves as a valuable building block in organic chemistry, particularly in the synthesis of complex molecules and pharmaceutical intermediates. With its stable tert-butyl protecting group and reactive cyano and ethoxy moieties, this compound can participate in various synthetic transformations, such as nucleophilic additions, acylation reactions, and cyclization processes. Additionally, the presence of the piperidine ring offers the potential for further diversification through ring-opening reactions or functional group manipulations. Overall, tert-Butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate is a valuable tool for chemists seeking to construct intricate molecular structures with high efficiency and precision.