structure of (5-Ethoxy-2-formylphenyl)boronic acid

(5-Ethoxy-2-formylphenyl)boronic acid

CAS No.: 1003042-89-4
M. Wt: 193.992
M. Fa: C9H11BO4
InChI Key: WZXOCGHYGPWDRF-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of (5-Ethoxy-2-formylphenyl)boronic acid

CAS Number

1003042-89-4

MDL Number

MFCD22421490

IUPAC Name

(5-ethoxy-2-formylphenyl)boronic acid

InChI

InChI=1S/C9H11BO4/c1-2-14-8-4-3-7(6-11)9(5-8)10(12)13/h3-6,12-13H,2H2,1H3

InChIKey

WZXOCGHYGPWDRF-UHFFFAOYSA-N

Canonical SMILES

B(C1=C(C=CC(=C1)OCC)C=O)(O)O

UNSPSC Code

12352100

Physical and chemical properties of (5-Ethoxy-2-formylphenyl)boronic acid

Boiling Point

420.8±55.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

194.075043

Flash Point

208.3±31.5 °C

H Bond Acceptors

4

H Bond Donors

2

Index of Refraction

1.531

LogP

1.60

Molecular Formula

C9H11BO4

Molecular Weight

193.992

Vapour Pressure

0.0±1.0 mmHg at 25°C

Safety Information of (5-Ethoxy-2-formylphenyl)boronic acid

Pictograms

Signal Word

 Warning

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

Applications of (5-Ethoxy-2-formylphenyl)boronic acid

The applications of (5-Ethoxy-2-formylphenyl)boronic acid are diverse:

  • Organic Synthesis: It serves as a key intermediate in synthesizing complex organic molecules.
  • Pharmaceutical Development: Its ability to form stable complexes with diols makes it useful in drug design and delivery systems.
  • Materials Science: It is utilized in developing new polymers, sensors, and organic electronic devices due to its unique chemical properties .

Interaction Studies of (5-Ethoxy-2-formylphenyl)boronic acid

Interaction studies involving (5-Ethoxy-2-formylphenyl)boronic acid typically focus on its binding affinity with diols. These studies reveal that boronic acids can form reversible complexes with diols, which can be exploited for sensing applications. The strength of these interactions can vary based on structural modifications to the boronic acid or the diol, highlighting the importance of molecular design in optimizing performance .

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

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