Methyl 4,4-difluoro-3-oxobutanoate
CAS No.:
89129-66-8
M. Wt:
152.096
M. Fa:
C5H6F2O3
InChI Key:
OHTZSGZMMOMLKA-UHFFFAOYSA-N
Names and Identifiers of Methyl 4,4-difluoro-3-oxobutanoate
CAS Number |
89129-66-8 |
|---|---|
IUPAC Name |
methyl 4,4-difluoro-3-oxobutanoate |
InChI |
InChI=1S/C5H6F2O3/c1-10-4(9)2-3(8)5(6)7/h5H,2H2,1H3 |
InChIKey |
OHTZSGZMMOMLKA-UHFFFAOYSA-N |
Canonical SMILES |
COC(=O)CC(=O)C(F)F |
Physical and chemical properties of Methyl 4,4-difluoro-3-oxobutanoate
Acidity coefficient |
8.59±0.46(Predicted) |
|---|---|
Boiling Point |
147.3±30.0 °C at 760 mmHg |
Density |
1.2±0.1 g/cm3 |
Exact Mass |
152.028503 |
Flash Point |
42.5±19.4 °C |
Index of Refraction |
1.363 |
LogP |
0.84 |
Molecular Formula |
C5H6F2O3 |
Molecular Weight |
152.096 |
PSA |
43.37000 |
Vapour Pressure |
4.4±0.3 mmHg at 25°C |
Applications of Methyl 4,4-difluoro-3-oxobutanoate
Methyl 4,4-difluoro-3-oxobutanoate has various applications:
- Pharmaceutical Industry: It serves as an intermediate in the synthesis of biologically active compounds.
- Agrochemicals: The compound is explored for developing new pesticides and herbicides due to its unique chemical properties.
- Material Science: Its derivatives may be used in polymer synthesis and other advanced materials.
Interaction Studies of Methyl 4,4-difluoro-3-oxobutanoate
Interaction studies involving methyl 4,4-difluoro-3-oxobutanoate focus on its reactivity with biological molecules and other chemical species. These studies are crucial for understanding how this compound may behave in biological systems and its potential toxicity profiles. Preliminary data suggest that it may interact favorably with certain enzymes or receptors, but comprehensive studies are necessary to elucidate these interactions fully.
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