2-(3-Cyanophenyl)-5,5μ-dimethyl-1,3,2-dioxaborinane

2-(3-Cyanophenyl)-5,5μ-dimethyl-1,3,2-dioxaborinane - Names and Identifiers

Name	3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
Synonyms	3-Cyanophenylboronic acid neopentyl ester 2-(3-Cyanophenyl)-5,5μ-dimethyl-1,3,2-dioxaborinane 3-(5,5-DiMethyl-1,3,2-dioxaborinan-2-yl)benzonitrile 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile Benzonitrile, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- (3-Cyanophenyl)boronic acid, neopentyl glycol ester
CAS	214360-45-9
InChI	InChI=1/C12H14BNO2/c1-12(2)8-15-13(16-9-12)11-5-3-4-10(6-11)7-14/h3-6H,8-9H2,1-2H3

2-(3-Cyanophenyl)-5,5μ-dimethyl-1,3,2-dioxaborinane - Physico-chemical Properties

Molecular Formula	C12H14BNO2
Molar Mass	215.06
Density	1.08±0.1 g/cm3(Predicted)
Melting Point	85-87°C
Boling Point	350.2±25.0 °C(Predicted)
Flash Point	165.6°C
Vapor Presure	4.48E-05mmHg at 25°C
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.511

2-(3-Cyanophenyl)-5,5μ-dimethyl-1,3,2-dioxaborinane - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
WGK Germany	3

2-(3-Cyanophenyl)-5,5μ-dimethyl-1,3,2-dioxaborinane - Introduction

3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl) benznitril is an organic compound with the chemical formula C15H17BO2N. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl) benzontril is a colorless or yellow liquid.
-Melting point: about 33-37 degrees Celsius.
-Boiling point: About 246 degrees Celsius.
-Solubility: its solubility is good, soluble in some organic solvents such as methanol, ethanol and dichloromethane.

Use:
3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl) benzonite has important application value and can be used in the following aspects:
-Organic synthesis: As a reagent in organic synthesis, it can participate in esterification, electrophilic substitution and oxidation reactions.
-Materials Science: It can be used to prepare boron-containing polymer materials, such as polyesters and polyethers.
-Pharmaceutical chemistry: can be used as a starting material for drug synthesis, with good biological activity.

Method:
The preparation of 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl) benznitril is generally carried out by the following steps:
1.3-cyanobenzeneboronic acid reacts with neopentyl alcohol to generate 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl) benzitrile.
2. A catalyst is added to the reaction, and the reaction is allowed to proceed by heating under appropriate conditions.

Safety Information:
3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitril has high safety, but the following matters still need to be paid attention:
-Avoid contact with eyes, skin and taking.
-Wear appropriate personal protective equipment such as lab gloves, goggles and protective clothing during use.
-Avoid contact with oxidants and strong acids and bases.
-store should be sealed, away from fire and high temperature.

Please note that this is only a brief introduction. For specific chemical research or use of this compound, refer to more detailed literature and operating manuals.

Last Update：2024-04-09 15:17:55