structure of 2-Ethoxypyrimidine-5-boronic acid

2-Ethoxypyrimidine-5-boronic acid

CAS No.: 1003043-55-7
M. Wt: 167.958
M. Fa: C6H9BN2O3
InChI Key: VTPBKJXRYUDPAJ-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 2-Ethoxypyrimidine-5-boronic acid

CAS Number

1003043-55-7

EC Number

696-562-5

MDL Number

MFCD07375134

IUPAC Name

(2-ethoxypyrimidin-5-yl)boronic acid

InChI

InChI=1S/C6H9BN2O3/c1-2-12-6-8-3-5(4-9-6)7(10)11/h3-4,10-11H,2H2,1H3

InChIKey

VTPBKJXRYUDPAJ-UHFFFAOYSA-N

Canonical SMILES

B(C1=CN=C(N=C1)OCC)(O)O

UNSPSC Code

12352100

Physical and chemical properties of 2-Ethoxypyrimidine-5-boronic acid

Boiling Point

376.6±52.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

168.070618

Flash Point

181.6±30.7 °C

Index of Refraction

1.517

LogP

0.12

Molecular Formula

C6H9BN2O3

Molecular Weight

167.958

PSA

75.47000

Storage condition

under inert gas (nitrogen or Argon) at 2-8°C

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 2-Ethoxypyrimidine-5-boronic acid

Pictograms

Signal Word

 Warning

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

Applications of 2-Ethoxypyrimidine-5-boronic acid

2-Ethoxypyrimidine-5-boronic acid has several applications:

  • Organic Synthesis: It serves as a versatile building block in organic synthesis for constructing complex molecules through coupling reactions.
  • Medicinal Chemistry: The compound is explored for its potential use in drug development, particularly for targeting specific biological pathways involved in diseases.
  • Material Science: Boronic acids are utilized in creating smart materials that respond to environmental stimuli due to their dynamic covalent chemistry properties.

Interaction Studies of 2-Ethoxypyrimidine-5-boronic acid

Research into the interactions of 2-ethoxypyrimidine-5-boronic acid with biological systems is ongoing. Studies typically focus on:

  • Binding Affinity: Investigating how this compound interacts with various biological targets such as enzymes or receptors.
  • Mechanism of Action: Understanding how its structural features influence its biological activity and efficacy as a therapeutic agent.

Physical sample testing spectrum (NMR) of 2-Ethoxypyrimidine-5-boronic acid

Physical sample testing spectrum (NMR) of 2-Ethoxypyrimidine-5-boronic acid