structure of (2-Methyl-2H-indazol-6-yl)boronic acid

(2-Methyl-2H-indazol-6-yl)boronic acid

CAS No.: 1001907-57-8
M. Wt: 175.98000
M. Fa: C8H9BN2O2
InChI Key: JADBVQWCMHPPQA-UHFFFAOYSA-N
Appearance: Brown Solid

Names and Identifiers of (2-Methyl-2H-indazol-6-yl)boronic acid

CAS Number

1001907-57-8

EC Number

682-940-7

MDL Number

MFCD09870057

IUPAC Name

(2-methylindazol-6-yl)boronic acid

InChI

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

InChIKey

JADBVQWCMHPPQA-UHFFFAOYSA-N

Canonical SMILES

B(C1=CC2=NN(C=C2C=C1)C)(O)O

UNSPSC Code

12352100

Physical and chemical properties of (2-Methyl-2H-indazol-6-yl)boronic acid

Boiling Point

430.8ºC at 760 mmHg

Density

1.27 g/cm3

Exact Mass

176.07600

Flash Point

214.3ºC

H Bond Acceptors

3

H Bond Donors

2

LogP

1.315

Melting Point

105-110°C

Molecular Formula

C8H9BN2O2

Molecular Weight

175.98000

PSA

58.28000

Storage condition

2-8°C

Safety Information of (2-Methyl-2H-indazol-6-yl)boronic acid

Pictograms

Signal Word

 Warning

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

Applications of (2-Methyl-2H-indazol-6-yl)boronic acid

(2-Methyl-2H-indazol-6-yl)boronic acid finds applications in:

  • Organic Synthesis: As a building block in synthesizing pharmaceuticals and agrochemicals.
  • Material Science: In developing new materials through polymerization processes.
  • Bioconjugation: In biochemistry for labeling and detecting biomolecules due to its reactive nature.

Its versatility in synthetic chemistry makes it a valuable reagent in both academic and industrial settings.

Interaction Studies of (2-Methyl-2H-indazol-6-yl)boronic acid

Studies on (2-Methyl-2H-indazol-6-yl)boronic acid interactions are primarily focused on its role in catalytic processes and enzyme inhibition. The compound's ability to form reversible covalent bonds suggests potential interactions with serine proteases and other enzymes that contain nucleophilic residues. Understanding these interactions is crucial for elucidating its biological mechanisms and enhancing its application in medicinal chemistry.

Physical sample testing spectrum (NMR) of (2-Methyl-2H-indazol-6-yl)boronic acid

Physical sample testing spectrum (NMR) of (2-Methyl-2H-indazol-6-yl)boronic acid