structure of 2-Chloro-3-methylpyridine-5-boronic acid

2-Chloro-3-methylpyridine-5-boronic acid

CAS No.: 1003043-40-0
M. Wt: 171.38900
M. Fa: C6H7BClNO2
InChI Key: WWOOKOBRTKSRLV-UHFFFAOYSA-N
Appearance: Off white solid

Names and Identifiers of 1003043-40-0

CAS Number

1003043-40-0

EC Number

680-962-1

MDL Number

MFCD03411564

IUPAC Name

(6-chloro-5-methylpyridin-3-yl)boronic acid

InChI

InChI=1S/C6H7BClNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3,10-11H,1H3

InChIKey

WWOOKOBRTKSRLV-UHFFFAOYSA-N

Canonical SMILES

B(C1=CC(=C(N=C1)Cl)C)(O)O

UNSPSC Code

12352100

Physical and chemical properties of 1003043-40-0

Acidity coefficient

6.78±0.11(Predicted)

Boiling Point

358.744ºC at 760 mmHg

Density

1.347 g/cm3

Exact Mass

171.02600

Flash Point

170.763ºC

Melting Point

180-183ºC

Molecular Formula

C6H7BClNO2

Molecular Weight

171.38900

PSA

53.35000

Storage condition

2~8℃

Safety Information of 1003043-40-0

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 1003043-40-0

2-Chloro-3-methylpyridine-5-boronic acid has diverse applications across several fields:

  • Organic Synthesis: It is primarily used in Suzuki-Miyaura cross-coupling reactions for synthesizing biaryl compounds, which are crucial in pharmaceuticals and agrochemicals .
  • Pharmaceutical Industry: Its derivatives are explored for potential drug development due to their biological activities .
  • Material Science: The compound finds applications in materials science, particularly in developing new polymers and materials with specific properties .

Interaction Studies of 1003043-40-0

Interaction studies involving 2-Chloro-3-methylpyridine-5-boronic acid focus on its reactivity with various nucleophiles and electrophiles. The compound's ability to participate in cross-coupling reactions makes it valuable for constructing complex molecular architectures. Additionally, studies on its interaction with biological targets may reveal insights into its potential therapeutic uses .

Biological Activity of 1003043-40-0

While specific biological activity data for 2-Chloro-3-methylpyridine-5-boronic acid is limited, compounds containing boronic acids are known to interact with biological systems. Boronic acids can act as enzyme inhibitors and have been studied for their potential therapeutic roles, particularly in cancer treatment and diabetes management due to their ability to interact with diols and other biomolecules .

Physical sample testing spectrum (NMR) of 1003043-40-0

Physical sample testing spectrum (NMR) of 1003043-40-0