Phenylboronic acid neopentylglycol ester

Phenylboronic acid neopentylglycol ester - Names and Identifiers

Name	5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane
Synonyms	PHENYLBORONIC ACID, NEOPENTYL ESTER Phenylboronic acid neopentylglycol ester 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane 5,5-DIMETHYL-2-PHENYL-1,3,2-DIOXABORINANE (5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZENE Phenylboronic Acid, neopentyl glycol cyclic ester (5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane, Phenyl boronic acid neopentylglycol ester Phenylboronic acid neopentylglycol ester,(5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane, Phenyl boronic acid neopentylglycol ester
CAS	5123-13-7
InChI	InChI=1/C11H15BO2/c1-11(2)8-13-12(14-9-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

Phenylboronic acid neopentylglycol ester - Physico-chemical Properties

Molecular Formula	C11H15BO2
Molar Mass	190.05
Density	1.00±0.1 g/cm3(Predicted)
Melting Point	62-66 °C (lit.)
Boling Point	287.8±9.0 °C(Predicted)
Flash Point	127.834°C
Solubility	soluble in Methanol
Vapor Presure	0.004mmHg at 25°C
Appearance	powder to crystal
Color	White to Almost white
Storage Condition	2-8°C
Sensitive	Sensitive to heat and humidity
Refractive Index	1.493
MDL	MFCD05663851

Phenylboronic acid neopentylglycol ester - 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. S36/37 - Wear suitable protective clothing and gloves.
WGK Germany	3

Phenylboronic acid neopentylglycol ester - Introduction

5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane (5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane) is an organic compound with the following properties:

1. appearance: white or white solid.
2. molecular formula: C12H15BO2
3. Molecular weight: 194.06g/mol
4. melting point: 78-82 ℃
5. Boiling point: 271-273 ℃
6. Solubility: Soluble in organic solvents such as ether and dichloromethane.

5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane has a wide range of applications:

1. As an organometallic reagent: it can be used as a boronating reagent, for example, as a substrate or a reducing agent in organic synthesis.
2. As a catalyst: it can be used to catalyze the coupling reaction between benzene borate and aryl halide, such as the Suzuki coupling reaction of benzene borate and aryl alkyl halide.

Preparation of 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane:

usually can be obtained by deacidification reaction of benzene borate ester and 5,5-dimethyl -1,3-dioxopentanoate.

Safety Information:

5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane is chemically stable, but appropriate safety measures are still needed:

1. avoid inhalation: should wear respiratory protection equipment, to ensure good ventilation.
2. avoid contact with skin and eyes: in the process of operation, should wear protective gloves and protective glasses.
3. storage: store in a dry, cool, ventilated place, avoid contact with oxidants.

In addition, when using and handling the compound, follow relevant safety practices and refer to the Chemical Safety Data Sheet (MSDS) for more detailed safety information.

Last Update：2024-04-10 22:29:15