2-Methylindazole-7-boronic acid
CAS No.:
1001907-58-9
M. Wt:
175.98000
M. Fa:
C8H9BN2O2
InChI Key:
PNVSRHLDCRSFAZ-UHFFFAOYSA-N
Appearance:
off-white solid
Names and Identifiers of 2-Methylindazole-7-boronic acid
CAS Number |
1001907-58-9 |
|---|---|
MDL Number |
MFCD09870058 |
IUPAC Name |
(2-methylindazol-7-yl)boronic acid |
InChI |
InChI=1S/C8H9BN2O2/c1-11-5-6-3-2-4-7(9(12)13)8(6)10-11/h2-5,12-13H,1H3 |
InChIKey |
PNVSRHLDCRSFAZ-UHFFFAOYSA-N |
Canonical SMILES |
B(C1=CC=CC2=CN(N=C12)C)(O)O |
UNSPSC Code |
12352100 |
Physical and chemical properties of 2-Methylindazole-7-boronic acid
Exact Mass |
176.07600 |
|---|---|
Molecular Formula |
C8H9BN2O2 |
Molecular Weight |
175.98000 |
PSA |
58.28000 |
Safety Information of 2-Methylindazole-7-boronic acid
Applications of 2-Methylindazole-7-boronic acid
2-Methylindazole-7-boronic acid finds applications in various fields:
- Organic Synthesis: It serves as a building block for synthesizing complex organic molecules through cross-coupling reactions.
- Medicinal Chemistry: Its potential biological activity makes it a candidate for drug development, particularly in designing new therapeutics targeting cancer or infectious diseases.
- Material Science: Boronic acids are used in creating functional materials, including polymers and sensors due to their unique reactivity and ability to form dynamic covalent bonds.
Interaction Studies of 2-Methylindazole-7-boronic acid
Research into interaction studies involving 2-Methylindazole-7-boronic acid focuses on its ability to form complexes with various substrates. These studies often examine:
- Binding Affinity: Investigating how well 2-Methylindazole-7-boronic acid interacts with proteins or enzymes, which can inform its potential therapeutic uses.
- Mechanistic Insights: Understanding the mechanisms by which it participates in reactions can provide insights into optimizing synthetic pathways and enhancing yields.
Physical sample testing spectrum (NMR) of 2-Methylindazole-7-boronic acid
