CAS 847818-67-1

B-[1-(3,3-Diethoxypropyl)-1H-pyrazol-5-yl]boronic acid

Description:

B-[1-(3,3-Diethoxypropyl)-1H-pyrazol-5-yl]boronic acid is an organoboron compound characterized by the presence of a boronic acid functional group, which is known for its ability to form reversible covalent bonds with diols, making it useful in various applications, including organic synthesis and medicinal chemistry. The compound features a pyrazole ring, which contributes to its biological activity and potential as a ligand in coordination chemistry. The diethoxypropyl substituent enhances its solubility and stability in organic solvents. This compound is typically used in the development of pharmaceuticals and agrochemicals, as well as in cross-coupling reactions, such as Suzuki-Miyaura coupling, which is pivotal in forming carbon-carbon bonds. Its unique structure allows for specific interactions with biological targets, making it a subject of interest in drug discovery. As with many boronic acids, it is important to handle this compound with care, considering its reactivity and potential environmental impact.

Formula: C₁₀H₁₉BN₂O₄

InChI: InChI=1S/C10H19BN2O4/c1-3-16-10(17-4-2)6-8-13-9(11(14)15)5-7-12-13/h5,7,10,14-15H,3-4,6,8H2,1-2H3

InChI key: InChIKey=RJFMXDJOXIDLBJ-UHFFFAOYSA-N

SMILES: C(CC(OCC)OCC)N1C(B(O)O)=CC=N1

Synonyms:

• B-[1-(3,3-Diethoxypropyl)-1H-pyrazol-5-yl]boronic acid
• Boronic acid, B-[1-(3,3-diethoxypropyl)-1H-pyrazol-5-yl]-
• Boronic acid, [1-(3,3-diethoxypropyl)-1H-pyrazol-5-yl]-

Boronic acid, B-[1-(3,3-diethoxypropyl)-1H-pyrazol-5-yl]-

CAS: 847818-67-1

Formula: C₁₀H₁₉BN₂O₄

Molecular weight: 242.0799

Ref: IN-DA01RQWK