1-(3-Chlorophenyl)-1H-pyrazol-4-ylboronic acid

Name: 1-(3-Chlorophenyl)-1H-pyrazol-4-ylboronic acid
SKU: ACMA00015275
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Catalog NumberACMA00015275

CategorySalt

IUPAC Name

[1-(3-chlorophenyl)pyrazol-4-yl]boronic acid

Molecular Weight

222.44g/mol

Molecular Formula

C9H8BClN2O2

Canonical SMILES

B(C1=CN(N=C1)C2=CC(=CC=C2)Cl)(O)O

InChI

InChI=1S/C9H8BClN2O2/c11-8-2-1-3-9(4-8)13-6-7(5-12-13)10(14)15/h1-6,14-15H

InChI Key

QQIIJLJSZUIAKB-UHFFFAOYSA-N

Application

1-(3-Chlorophenyl)-1H-pyrazol-4-ylboronic acid, which typically appears as a light orange powder, serves various purposes in chemical synthesis and applications. It is commonly used as an intermediate in the creation of compounds like MCH R1 antagonists, which are piperidine-based. Additionally, it acts as a substrate in Suzuki coupling reactions, instrumental in forming 4-aryl-1,8-naphthyridin-2(1H)-ones. This compound is also vital for synthesizing biaryl-based phenylalanine amino acid analogs that serve as ligands for kainate receptors. Moreover, it plays a key role in preparing phenylimidazole-based Ir(III) complexes, which are utilized in the development of phosphorescent blue OLED applications.

Complexity

220

Covalently-Bonded Unit Count

Exact Mass

222.036735g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

222.036735g/mol

Rotatable Bond Count

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