CAS 90555-66-1 3-Ethoxyphenylboronic acid - Materials / Alfa Chemistry

NAVIGATION

3-Ethoxyphenylboronic acid

PRICE INQUIRY

Catalog Number

ACM90555661-1

CAS Number

90555-66-1

Product Name

3-Ethoxyphenylboronic acid

Structure

Category

Salt

Synonyms

RARECHEM AH PB 0139;M-ETHOXYPHENYLBORONIC ACID;3-ETHOXYPHENYLBORONIC ACID;3-ETHOXYBENZENEBORONIC ACID;AKOS BRN-0069;3-Ethoxyphenylboronic Acid (contains varying amounts of Anhydride);3-Ethoxyphenylboronic acid ,98%;3-ETHOXYPHENYLBORONI

IUPAC Name

(3-ethoxyphenyl)boronic acid

Molecular Weight

165.98g/mol

Molecular Formula

C8H11BO3

Canonical SMILES

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

InChI

InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3

InChI Key

CHCWUTJYLUBETR-UHFFFAOYSA-N

Application

The purpose of 3-Ethoxyphenylboronic acid, a white to light yellow crystalline powder, lies in its versatility as a reactant in various chemical synthesis processes. It plays a crucial role in the cyanation for synthesizing aromatic and vinyl nitriles, and is instrumental in the microwave-assisted palladium-catalyzed arylation of resin-supported pyrazinones. Additionally, it facilitates copper-mediated N- and O-arylations. Furthermore, this compound is vital in the synthesis of biologically active molecules, such as amino derivatives of indole used as isoprenylcysteine carboxyl methyltransferase inhibitors, 5-arylindazole glucocorticoid receptor agonists and antagonists, and 1,5-diaryl-1,2,4-triazoles, which serve as cis-restricted combretastatin analogs.

Complexity

130

Covalently-Bonded Unit Count

Exact Mass

166.080124g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

166.080124g/mol

Rotatable Bond Count

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