1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No.:
1002334-12-4
M. Wt:
270.135
M. Fa:
C15H19BN2O2
InChI Key:
XPAJFLOIPDXRRD-UHFFFAOYSA-N
Appearance:
White Solid
Names and Identifiers of 1002334-12-4
CAS Number |
1002334-12-4 |
|---|---|
MDL Number |
MFCD12400941 |
IUPAC Name |
1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
InChI |
InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)12-10-17-18(11-12)13-8-6-5-7-9-13/h5-11H,1-4H3 |
InChIKey |
XPAJFLOIPDXRRD-UHFFFAOYSA-N |
Canonical SMILES |
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3=CC=CC=C3 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1002334-12-4
Acidity coefficient |
-0.58±0.10(Predicted) |
|---|---|
Boiling Point |
389.8±15.0 °C at 760 mmHg |
Density |
1.1±0.1 g/cm3 |
Exact Mass |
270.153961 |
Flash Point |
189.6±20.4 °C |
Index of Refraction |
1.546 |
LogP |
2.17150 |
Molecular Formula |
C15H19BN2O2 |
Molecular Weight |
270.135 |
PSA |
36.28000 |
Storage condition |
2-8°C |
Vapour Pressure |
0.0±0.9 mmHg at 25°C |
Safety Information of 1002334-12-4
Applications of 1002334-12-4
The applications of 1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole are diverse:
- Pharmaceutical Development: Its unique structure makes it a candidate for drug development targeting various diseases.
- Material Science: Boron-containing compounds are explored in materials science for their electronic properties.
- Organic Synthesis: It serves as an intermediate in synthesizing more complex organic molecules.
Interaction Studies of 1002334-12-4
Interaction studies highlight the compound's potential in various biochemical pathways:
- Enzyme Inhibition: Research has indicated that certain derivatives may inhibit specific enzymes involved in metabolic pathways.
- Receptor Binding: Studies suggest that some structural analogs could interact with biological receptors, influencing signaling pathways relevant to disease mechanisms.
Biological Activity of 1002334-12-4
Research indicates that compounds similar to 1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole exhibit various biological activities:
- Anticancer Properties: Some derivatives have shown potential in inhibiting cancer cell proliferation.
- Anti-inflammatory Effects: Certain studies suggest that related compounds may have anti-inflammatory properties.
- Antimicrobial Activity: There is evidence supporting the antimicrobial effects of similar pyrazole derivatives against various bacterial strains.
Physical sample testing spectrum (NMR) of 1002334-12-4
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