Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate - Names and Identifiers
Name | Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
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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
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CAS | 269409-99-6
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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 |
Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate - Physico-chemical Properties
Molecular Formula | C15H21BO4
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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 |
Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate - Risk and Safety
Safety Description | 24/25 - Avoid contact with skin and eyes.
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WGK Germany | 3 |
Ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate - 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