structure of (1-Methyl-1H-indazol-7-yl)boronic acid

(1-Methyl-1H-indazol-7-yl)boronic acid

CAS No.: 1001907-59-0
M. Wt: 175.98000
M. Fa: C8H9BN2O2
InChI Key: TWHUPAUNRIZSBL-UHFFFAOYSA-N
Appearance: white solid

Names and Identifiers of (1-Methyl-1H-indazol-7-yl)boronic acid

CAS Number

1001907-59-0

MDL Number

MFCD09870054

IUPAC Name

(1-methylindazol-7-yl)boronic acid

InChI

InChI=1S/C8H9BN2O2/c1-11-8-6(5-10-11)3-2-4-7(8)9(12)13/h2-5,12-13H,1H3

InChIKey

TWHUPAUNRIZSBL-UHFFFAOYSA-N

Canonical SMILES

B(C1=C2C(=CC=C1)C=NN2C)(O)O

UNSPSC Code

12352100

Physical and chemical properties of (1-Methyl-1H-indazol-7-yl)boronic acid

Acidity coefficient

8.51±0.30(Predicted)

Boiling Point

397.5ºC at 760 mmHg

Density

1.27 g/cm3

Exact Mass

176.07600

Flash Point

194.2ºC

Molecular Formula

C8H9BN2O2

Molecular Weight

175.98000

PSA

58.28000

Storage condition

2~8℃

Safety Information of (1-Methyl-1H-indazol-7-yl)boronic acid

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of (1-Methyl-1H-indazol-7-yl)boronic acid

(1-Methyl-1H-indazol-7-yl)boronic acid has several potential applications:

  • Medicinal Chemistry: Its structure makes it a candidate for developing new therapeutic agents targeting various diseases, especially cancers.
  • Organic Synthesis: It serves as a versatile building block in organic synthesis, particularly in cross-coupling reactions.
  • Chemical Probes: The compound can be used as a chemical probe in biological studies to investigate protein interactions and cellular processes.

Interaction Studies of (1-Methyl-1H-indazol-7-yl)boronic acid

Interaction studies involving (1-Methyl-1H-indazol-7-yl)boronic acid focus on its ability to bind with biomolecules such as proteins and nucleic acids. The reversible nature of boronic acid interactions makes it suitable for studying dynamic biological systems. Research indicates that boronic acids can modulate enzyme activity and serve as inhibitors in biochemical pathways, though specific studies on this compound are still emerging.

Physical sample testing spectrum (NMR) of (1-Methyl-1H-indazol-7-yl)boronic acid

Physical sample testing spectrum (NMR) of (1-Methyl-1H-indazol-7-yl)boronic acid