CAS 214360-46-0 3-Cyanobenzeneboronic acid, pinacol ester

NAVIGATION

3-Cyanobenzeneboronic acid, pinacol ester

PRICE INQUIRY

Catalog Number

ACM214360460-1

CAS Number

214360-46-0

Product Name

3-Cyanobenzeneboronic acid, pinacol ester

Category

Salt

Synonyms

578401_ALDRICH, BM076, 3-Cyanophenylboronic acid pinacol ester, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 214360-46-0

IUPAC Name

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Molecular Weight

229.08

Molecular Formula

C₁₃H₁₆BNO₂

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C#N

InChI Key

FIGQEPXOSAFKTA-UHFFFAOYSA-N

Boiling Point

341ºC at 760mmHg

Melting Point

78-82ºC(lit.)

Flash Point

160ºC

Purity

98%

Density

1.06g/cm³

Application

The purpose of 3-Cyanobenzeneboronic acid, pinacol ester, is to serve as a versatile reactant used in various organic synthesis reactions. It is particularly valuable in the formation of 3-Cyano aryl or heteroaryl derivatives through the creation of carbon-carbon bonds via the palladium-catalyzed Suzuki-Miyaura reaction. Additionally, this compound is utilized in copper-catalyzed Chan-Evans-Lam amination reactions to synthesize 3-(Phenylamino)benzonitrile. It also facilitates the production of 3-(Trifluoromethyl)benzonitrile when used with potassium (trifluoromethyl)trimethoxyborate, demonstrating its utility in different chemical transformations.

Exact Mass

229.12700

Hazard Statements

Xi: Irritant;

Safety Description

26-36

WGK Germany

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