Acetic acid, (3-pyridinyloxy)-, ethyl ester


Chemical Name: Acetic acid, (3-pyridinyloxy)-, ethyl ester
CAS Number: 18342-98-8
Product Number: AG0027K3(AGN-PC-0LGX51)
Synonyms:
MDL No:
Molecular Formula: C9H11NO3
Molecular Weight: 181.1885

Identification/Properties


Computed Properties
Molecular Weight:
181.191g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
181.074g/mol
Monoisotopic Mass:
181.074g/mol
Topological Polar Surface Area:
48.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
161
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 2-(pyridin-3-yloxy)acetate is a versatile compound commonly used in chemical synthesis due to its unique properties and reactivity. This compound serves as a valuable building block in the creation of various organic molecules, particularly in the field of medicinal chemistry and drug development.One of the key applications of Ethyl 2-(pyridin-3-yloxy)acetate is its use as a starting material for the synthesis of heterocyclic compounds. By reacting with different reagents and catalysts, this compound can undergo various chemical transformations to yield structurally diverse products. These heterocyclic compounds are essential components in the design and development of pharmaceuticals, agrochemicals, and materials science.Furthermore, Ethyl 2-(pyridin-3-yloxy)acetate can be utilized in the synthesis of biologically active molecules with potential pharmacological properties. Its structural motif containing both a pyridine ring and an ester group makes it a valuable intermediate for the preparation of drug candidates targeting specific biological pathways or disease targets.In addition, the presence of the acetate functional group in Ethyl 2-(pyridin-3-yloxy)acetate offers opportunities for further derivatization through various chemical reactions. This enables chemists to introduce additional functionalities or modifications to tailor the compound's properties for specific applications.Overall, the versatile nature of Ethyl 2-(pyridin-3-yloxy)acetate makes it a valuable precursor in the realm of chemical synthesis, enabling the creation of complex organic molecules with interesting structural features and potential biological activities.