Benzonitrile, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-

Benzonitrile, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- - Names and Identifiers

Name	Benzonitrile, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
Synonyms	4-Cyanophenylboronic acid neopentyl ester 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile Benzonitrile, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- (4-cyanophenyl)-(3-hydroxy-2,2-dimethyl-propoxy)borinic acid
CAS	214360-44-8
InChI	InChI=1S/C12H16BNO3/c1-12(2,8-15)9-17-13(16)11-5-3-10(7-14)4-6-11/h3-6,15-16H,8-9H2,1-2H3

Benzonitrile, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- - Physico-chemical Properties

Molecular Formula	C12H14BNO2
Molar Mass	215.06
Density	1.08±0.1 g/cm3(Predicted)
Melting Point	122 °C
Boling Point	355.5±25.0 °C(Predicted)
Storage Condition	2-8°C

Benzonitrile, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- - Introduction

Benzonitrile, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-is an organic compound with the chemical formula C12H15BN2O3. The following is a description of the properties, uses, preparation and safety information of the compound:

Nature:
-Appearance: Benzonitrile, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-is a colorless to pale yellow liquid.
-Melting point: About -42 ℃.
-Boiling point: About 200 ℃.
-Density: about 1.07g/cm³.
-Solubility: Soluble in organic solvents such as ethanol, chloroform and dichloromethane.

Use:
Benzonitrile, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-has many applications in organic synthesis, including the following:
-As an important organic synthesis intermediate, it can be used to synthesize compounds with pharmaceutical activity.
-Used for metal-catalyzed gas phase conversion reactions, such as the Friedel-Crafts reaction of benzene.
-Used for cross-coupling reactions in organic chemistry, such as benzene-methyl ruthenium-catalyzed olefins and alkylation reactions.

Method:
The preparation method of Benzonitrile, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-usually involves the following steps:
1. React cyanobenzeneboronic acid with an appropriate amount of neopentyl alcohol in the reaction solvent, and drive off water by heating and stirring.
2. The reaction mixture is further purified by distillation or extraction to obtain the target product.

Safety Information:
- Benzonitrile, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-is less toxic, but should still be used and stored with care.
-Avoid contact with skin, eyes and mucous membranes. If contact occurs, rinse immediately with plenty of water.
-During use, good ventilation conditions should be provided.
-Should be stored in a closed container, away from fire and oxidizing agents.
-Do not mix this compound with strong oxidants or acids to avoid dangerous reactions.

Last Update：2024-04-10 22:41:03