Ethyl 4-nitrobutanoate
Names and Identifiers of Ethyl 4-nitrobutanoate
CAS Number |
2832-16-8 |
|---|---|
MDL Number |
MFCD00096268 |
IUPAC Name |
ethyl 4-nitrobutanoate |
InChI |
InChI=1S/C6H11NO4/c1-2-11-6(8)4-3-5-7(9)10/h2-5H2,1H3 |
InChIKey |
JDCIBQNRJNANBE-UHFFFAOYSA-N |
Canonical SMILES |
CCOC(=O)CCC[N+](=O)[O-] |
UNSPSC Code |
12352100 |
Physical and chemical properties of Ethyl 4-nitrobutanoate
Exact Mass |
161.06900 |
|---|---|
H Bond Acceptors |
3 |
H Bond Donors |
0 |
LogP |
1.12960 |
Molecular Formula |
C6H11NO4 |
Molecular Weight |
161.15600 |
PSA |
72.12000 |
Safety Information of Ethyl 4-nitrobutanoate
Applications of Ethyl 4-nitrobutanoate
Ethyl 4-nitrobutanoate finds applications in several fields:
- Organic Synthesis: It serves as a versatile building block for synthesizing complex organic molecules, especially those containing nitrogen.
- Pharmaceuticals: Its derivatives are often explored for their potential therapeutic effects and are used in drug discovery processes.
- Chemical Research: The compound is utilized in academic and industrial research for developing new synthetic methodologies and studying reaction mechanisms.
Interaction Studies of Ethyl 4-nitrobutanoate
Interaction studies involving ethyl 4-nitrobutanoate primarily focus on its reactivity with other organic compounds. For instance, its interaction with chiral imines has been studied to understand stereochemical outcomes in asymmetric synthesis. These studies help elucidate the mechanistic pathways and selectivity involved in reactions where ethyl 4-nitrobutanoate is a reactant .
Biological Activity of Ethyl 4-nitrobutanoate
While specific biological activities of ethyl 4-nitrobutanoate are not extensively documented, compounds containing nitro groups often exhibit a range of biological effects. Nitro compounds can act as prodrugs or intermediates in the synthesis of pharmaceuticals, potentially influencing biological pathways. The derivatives formed from ethyl 4-nitrobutanoate may possess significant biological activities due to their structural properties.
Physical sample testing spectrum (NMR) of Ethyl 4-nitrobutanoate
