Methyl 3-oxohept-6-ynoate
Names and Identifiers of Methyl 3-oxohept-6-ynoate
CAS Number |
100330-50-5 |
|---|---|
MDL Number |
MFCD24688654 |
IUPAC Name |
methyl 3-oxohept-6-ynoate |
InChI |
InChI=1S/C8H10O3/c1-3-4-5-7(9)6-8(10)11-2/h1H,4-6H2,2H3 |
InChIKey |
HSZWYTRZAPFGTG-UHFFFAOYSA-N |
Canonical SMILES |
COC(=O)CC(=O)CCC#C |
UNSPSC Code |
12352100 |
Physical and chemical properties of Methyl 3-oxohept-6-ynoate
Acidity coefficient |
10.27±0.46(Predicted) |
|---|---|
Boiling Point |
231.1±15.0°C at 760 mmHg |
Density |
1.063±0.06 g/cm3(Predicted) |
Exact Mass |
154.06300 |
H Bond Acceptors |
2 |
H Bond Donors |
0 |
LogP |
0.53200 |
Molecular Formula |
C8H10O3 |
Molecular Weight |
154.16300 |
PSA |
43.37000 |
Storage condition |
Sealed in dry,Store in freezer, under -20°C |
Safety Information of Methyl 3-oxohept-6-ynoate
Applications of Methyl 3-oxohept-6-ynoate
Methyl 3-oxohept-6-ynoate finds applications across various fields:
- Chemical Industry: Used as an intermediate in synthesizing more complex organic molecules.
- Biological Research: Utilized in studies involving enzyme interactions and metabolic pathways.
- Pharmaceutical Development: Investigated for potential use in developing new drugs due to its unique chemical properties.
Interaction Studies of Methyl 3-oxohept-6-ynoate
Research into the interaction of methyl 3-oxohept-6-ynoate with biological macromolecules has highlighted its potential role in cross-linking studies, particularly using mass spectrometry techniques. These studies aim to map ligand interactions with proteins, which can be critical for understanding metabolic pathways and drug design.
Biological Activity of Methyl 3-oxohept-6-ynoate
Methyl 3-oxohept-6-ynoate has been studied for its potential biological activities, particularly in enzyme-catalyzed reactions and metabolic pathways. Its reactive functional groups allow it to serve as a substrate for various enzymes, which may lead to the formation of biologically active metabolites. Research is ongoing into its pharmaceutical applications, including possible roles in drug development.
Physical sample testing spectrum (NMR) of Methyl 3-oxohept-6-ynoate
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