1-(Tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No.:
1003846-21-6
M. Wt:
278.155
M. Fa:
C14H23BN2O3
InChI Key:
YYSLAWXDXHVRHU-UHFFFAOYSA-N
Appearance:
Off white solid
Names and Identifiers of 1003846-21-6
CAS Number |
1003846-21-6 |
|---|---|
EC Number |
817-729-2 |
MDL Number |
MFCD16556148 |
IUPAC Name |
1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
InChI |
InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12/h9-10,12H,5-8H2,1-4H3 |
InChIKey |
YYSLAWXDXHVRHU-UHFFFAOYSA-N |
Canonical SMILES |
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCCCO3 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1003846-21-6
Acidity coefficient |
1.95±0.19(Predicted) |
|---|---|
Boiling Point |
413.8±35.0 °C at 760 mmHg |
Density |
1.2±0.1 g/cm3 |
Exact Mass |
278.180176 |
Flash Point |
204.1±25.9 °C |
Index of Refraction |
1.545 |
LogP |
1.88140 |
Molecular Formula |
C14H23BN2O3 |
Molecular Weight |
278.155 |
PSA |
45.51000 |
Storage condition |
2~8℃ |
Vapour Pressure |
0.0±0.9 mmHg at 25°C |
Safety Information of 1003846-21-6
Applications of 1003846-21-6
The unique properties of 1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole lend themselves to several applications:
- Drug development: Its potential biological activities make it a candidate for further exploration in pharmaceutical applications.
- Material science: The compound's reactivity can be harnessed in the development of novel materials or catalysts.
Research into these areas is ongoing to fully exploit its capabilities.
Interaction Studies of 1003846-21-6
Interaction studies involving 1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole are crucial for understanding its behavior in biological systems and chemical environments. Preliminary studies suggest that:
- The compound may interact with biomolecules such as proteins and nucleic acids through hydrogen bonding and hydrophobic interactions.
- Its boron-containing structure may facilitate interactions with enzymes or receptors that recognize boron species.
These interactions could inform future research directions aimed at therapeutic applications.
Physical sample testing spectrum (NMR) of 1003846-21-6
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