CAS 405520-68-5 4-(N,N-dimethylaminocarbonyl)phenylboronic acid

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4-(N,N-dimethylaminocarbonyl)phenylboronic acid

PRICE INQUIRY

Catalog Number

ACM405520685-1

CAS Number

405520-68-5

Product Name

4-(N,N-dimethylaminocarbonyl)phenylboronic acid

Structure

Category

Salt

Synonyms

D2816G1, 4-(N,N-Dimethylaminocarbonyl)-phenylboronic acid, 405520-68-5

IUPAC Name

[4-(dimethylcarbamoyl)phenyl]boronic acid

Molecular Weight

193.0075

Molecular Formula

C9H12 B N O3

Canonical SMILES

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

InChI Key

QJYYVSIRDJVQJW-UHFFFAOYSA-N

Boiling Point

407.4ºC at 760 mmHg

Melting Point

130-136ºC

Flash Point

200.2ºC

Purity

97%

Density

1.2 g/cm³

Application

4-(N,N-dimethylaminocarbonyl)phenylboronic acid serves as a versatile white crystalline reactant in the synthesis of various pharmacologically important compounds. It is instrumental in the development of selective glucocorticoid receptor agonists, which are critical for modulating immune responses. Additionally, it plays a key role in the creation of (thienopyridine)carboxamides, known as checkpoint 1 kinase (CHK1) inhibitors, which have implications in cancer treatment. This compound is also utilized in synthesizing [(pyrrolo[2,3-b]pyridinyl)methylene]hydroxybenzofuranones, potent ATP-competitive inhibitors targeting the mammalian target of rapamycin (mTOR), thereby influencing cell growth and proliferation. Furthermore, it aids in the formation of pyrrolopyridines, which act as inhibitors of the insulin-like growth factor-1 receptor tyrosine kinase, playing a significant role in cancer therapeutics. Lastly, it is employed in copper-mediated N-arylation of quinazolinediones, a key step in various chemical syntheses.

Exact Mass

193.09100

Hazard Statements

Xi: Irritant;

Safety Description

26-36/37/39

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