diethyl 1-benzyl-4-phenyl-4H-pyridine-3,5-dicarboxylate


Chemical Name: diethyl 1-benzyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
CAS Number: 15301-69-6
Product Number: AG00AOF1(AGN-PC-0N7OAS)
Synonyms:
MDL No:
Molecular Formula: C24H25NO4
Molecular Weight: 391.4596

Identification/Properties


Computed Properties
Molecular Weight:
391.467g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
391.178g/mol
Monoisotopic Mass:
391.178g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
631
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound 2-(Piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate is commonly utilized in chemical synthesis as a versatile building block for the preparation of various complex organic molecules. Its unique structure containing a piperidine ring and a chromene moiety offers a wide range of reactivity and functional group compatibility, making it a valuable intermediate in organic synthesis.In chemical reactions, the piperidine group can act as a nucleophile or a directing group, enabling selective functionalization at specific positions within the molecule. Additionally, the chromene scaffold can participate in various bond-forming reactions, such as cross-coupling reactions or ring-closure reactions, leading to the formation of diverse molecular architectures.Moreover, the presence of the ester group in the molecule provides an opportunity for further derivatization through esterification or hydrolysis reactions, allowing for the introduction of additional functionalities or modifications to tailor the properties of the final product.Overall, the strategic incorporation of 2-(Piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate in chemical synthesis offers synthetic chemists a powerful tool for the efficient construction of complex organic compounds with potential applications in pharmaceuticals, agrochemicals, materials science, and beyond.