1,1,2,2-Tetramethyldimethylene (2-cyanophenyl)boronate

1,1,2,2-Tetramethyldimethylene (2-cyanophenyl)boronate - Names and Identifiers

Name	2-Cyanobenzeneboronic acid pinacol ester
Synonyms	AKOS BRN-1132 2-Cyanophenylboronic acid pinacol ester 2-Cyanobenzeneboronic acid,pinacol ester 2-CYANOPHENYLBORONIC ACID, PINACOL ESTER 2-Cyanobenzeneboronic acid pinacol ester 2-Cyanophenylboronic acid, pinacol ester 2-Cyanobenzeneboronic acid, pinacol ester 1,1,2,2-Tetramethyldimethylene (2-cyanophenyl)boronate 2-(2-Cyanophenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE Benzonitrile, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzolcarbonitril 2-Cyanophenylboronic acid pinacol ester 1,1,2,2-Tetramethyldimethylene (2-cyanophenyl)boronate 2-(2-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (This product is only available in Japan.)
CAS	214360-48-2
InChI	InChI=1/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,1-4H3

1,1,2,2-Tetramethyldimethylene (2-cyanophenyl)boronate - Physico-chemical Properties

Molecular Formula	C13H16BNO2
Molar Mass	229.08
Density	1.06±0.1 g/cm3(Predicted)
Melting Point	85-90 °C
Boling Point	357.1±25.0 °C(Predicted)
Flash Point	169.8°C
Vapor Presure	2.79E-05mmHg at 25°C
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Refractive Index	1.507
MDL	MFCD04038747

1,1,2,2-Tetramethyldimethylene (2-cyanophenyl)boronate - Risk and Safety

Hazard Symbols	Xi - Irritant
WGK Germany	3
Hazard Class	IRRITANT

1,1,2,2-Tetramethyldimethylene (2-cyanophenyl)boronate - Introduction

2-Cyanobenzeneboronic acid pinacol ester is an organic compound with the chemical formula C16H19BN2O2. The following is a detailed description of its nature, use, preparation and safety information:

Nature:
-Appearance: Colorless crystalline solid
-Melting Point: 76-78 ℃
-Solubility: Soluble in organic solvents such as alcohols, ethers and ketones.

Use:
- 2-Cyanobenzeneboronic acid pinacol ester is a commonly used reagent in the field of organic synthesis and is often used in coupling reactions and the construction of aromatic compounds.
-It can be reduced to the corresponding borate Ester and can be condensed with primary amines.
-Note: 2-Cyanobenzeneboronic acid pinacol ester is not suitable for biological experiments because it may be toxic to cells.

Method:
- 2-Cyanobenzeneboronic acid pinacol ester can be synthesized by the reaction of benzonitrile and boric acid ester.
-The specific preparation method is as follows:
1. Add the benzonitrile and Boronic ester (typically using a Boronic ester) to the reaction vessel.
2. Stir and mix the reactants at an appropriate temperature.
3. After the reaction, the product is subjected to purification steps such as extraction and crystallization to obtain 2-Cyanobenzeneboronic acid pinacol ester.

Safety Information:
- 2-Cyanobenzeneboronic acid pinacol ester is generally regarded as a low-toxic or non-toxic compound under regular experimental conditions, but it still needs to be handled carefully.
-Wear appropriate personal protective equipment such as lab gloves, glasses, and laboratory goggles when in use.
-Avoid contact with skin and eyes, and avoid inhaling dust or gas.
-For accidental contact, rinse immediately with plenty of water and consult a doctor.

Last Update：2024-04-10 22:29:15