2-ETHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTER

2-ETHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTER - Names and Identifiers

Name	Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Synonyms	2-carboethoxyphenylboronic acid pinacol ester 2-Ethoxycarbonylphenylboronic acid pinacol ester 2-ETHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTER 2-(Ethoxycarbonyl)phenylboronic acid, pinacol cyclic ester Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate ETHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(ethoxycarbonyl)benzene 2-Carboethoxyphenylboronic acid pinacol ester, Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS	269409-99-6
InChI	InChI=1/C15H21BO4/c1-6-18-13(17)11-9-7-8-10-12(11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3

2-ETHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTER - Physico-chemical Properties

Molecular Formula	C15H21BO4
Molar Mass	276.14
Density	1.07±0.1 g/cm3(Predicted)
Melting Point	60-65 °C
Boling Point	378.0±25.0 °C(Predicted)
Flash Point	182.4°C
Vapor Presure	6.47E-06mmHg at 25°C
Appearance	Powder
Color	white to yellow
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Refractive Index	1.497

2-ETHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTER - Risk and Safety

Safety Description	24/25 - Avoid contact with skin and eyes.
WGK Germany	3

2-ETHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTER - Introduction

Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is an organic compound with the chemical formula C16H21BO4. Its molecular structure contains ether and ester groups, as well as boronic acid pinacol groups. The following is a description of the properties, uses, preparation and safety information of the compound:

Nature:
-Appearance: Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is a colorless or slightly yellow solid.
-Solubility: It is soluble in organic solvents such as ether, methylene chloride and benzene. Low solubility in water.
-Melting point: About 80-85 ℃.
-Density: about 1.1g/cm³.
-Stability: It is stable under regular experimental conditions.

Use:
Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate has a wide range of applications in organic synthesis, commonly used in the following aspects:
-As reagents and catalysts for organic synthesis reactions.
-Used to construct organic molecules and complexes, such as C- C bond formation reactions in organic synthesis, C- H bond functionalization reactions in organic synthesis, etc.
-Used as an intermediate in drug synthesis.
-for the synthesis of heterocyclic compounds.

Method:
The preparation of Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate can be carried out by the following steps:
1. In an appropriate solvent (such as dichloromethane), pinacol and boric acid are reacted to generate boronic acid pinacol.
2. At the same time, glycolic acid and triethyl pyrophosphate are reacted to generate diethyl phosphate.
3. Add boronic acid pinacol and diethyl phosphate into the reaction system, and heat and stir to generate Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.
4. After the reaction is completed, the target product is obtained by cooling crystallization and filtration.

Safety Information:
- Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate will not cause obvious harm to the human body under correct operation. However, as a chemical, it is important to take appropriate laboratory safety measures, such as wearing appropriate protective gloves, goggles and laboratory coats.
-Inhalation or contact with skin and eyes may cause irritation, so avoid inhalation and avoid contact with skin and eyes during operation. In case of accidental contact, rinse with plenty of water and seek medical help.
-Avoid high temperatures and open flames during storage and handling, and ensure that it is isolated and stored from other hazardous substances.

The above is just some basic introduction to Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate. If you need more detailed or professional information, refer to the specialized chemistry literature or consult an expert in the relevant field.

Last Update：2024-04-09 21:11:58