1-Cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No.:
1002309-48-9
M. Wt:
248.129
M. Fa:
C13H21BN2O2
InChI Key:
OBCTWWFLJFCNPC-UHFFFAOYSA-N
Appearance:
White Solid
Names and Identifiers of 1002309-48-9
CAS Number |
1002309-48-9 |
|---|---|
EC Number |
889-638-6 |
MDL Number |
MFCD16659010 |
IUPAC Name |
1-cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
InChI |
InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)10-8-15-16(9-10)11-6-5-7-11/h8-9,11H,5-7H2,1-4H3 |
InChIKey |
OBCTWWFLJFCNPC-UHFFFAOYSA-N |
Canonical SMILES |
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCC3 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1002309-48-9
Acidity coefficient |
3.33±0.12(Predicted) |
|---|---|
Boiling Point |
370.2±15.0 °C at 760 mmHg |
Density |
1.1±0.1 g/cm3 |
Exact Mass |
248.169601 |
Flash Point |
177.7±20.4 °C |
Index of Refraction |
1.556 |
LogP |
1.90730 |
Molecular Formula |
C13H21BN2O2 |
Molecular Weight |
248.129 |
PSA |
36.28000 |
Storage condition |
2-8°C |
Vapour Pressure |
0.0±0.8 mmHg at 25°C |
Safety Information of 1002309-48-9
Applications of 1002309-48-9
This compound has several notable applications:
- Organic Synthesis: It serves as a building block for synthesizing more complex molecules.
- Medicinal Chemistry: Ongoing research is exploring its potential as a precursor for drug development.
- Material Science: It is used in developing new materials and catalysts for various industrial processes.
Interaction Studies of 1002309-48-9
Interaction studies of 1-Cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole focus on its reactivity with biological molecules. The presence of the boron atom may facilitate interactions with nucleophilic sites in proteins or nucleic acids. Further research is needed to elucidate the specific mechanisms of action and potential therapeutic benefits.
Physical sample testing spectrum (NMR) of 1002309-48-9
