Benzeneacetonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
4-(Cyanomethyl)benzeneboronic acid Pinacol ester
CAS: 138500-86-4
Molecular Formula: C14H18BNO2
Benzeneacetonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- - Names and Identifiers
Benzeneacetonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- - Physico-chemical Properties
| Molecular Formula | C14H18BNO2 |
| Molar Mass | 243.11 |
| Density | 1.05±0.1 g/cm3(Predicted) |
| Melting Point | 68-72°C |
| Boling Point | 369.3±25.0 °C(Predicted) |
| Flash Point | 177.2°C |
| Vapor Presure | 1.2E-05mmHg at 25°C |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.505 |
| MDL | MFCD02179459 |
Benzeneacetonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 3439 |
| Hazard Class | 6.1 |
| Packing Group | III |
Benzeneacetonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- - Introduction
4-cyanomethylphenyl borate (4-cyanomethylphenyl boronic acid pinacol ester) is an organic compound. The following is a description of its nature, use, preparation and safety information:
properties: 4-cyanomethylphenylboronic acid ester is a white crystalline solid, its chemical formula is C13H17BCNO2. It has a molecular weight of 239.09g/mol. It has low solubility at room temperature.
use: 4-cyanomethyl benzene borate which ester is an important reagent in organic synthesis. It can be used as a ligand and reagent, participating in metal-catalyzed reactions and C- C bond-forming reactions. It is commonly used in the synthesis of drugs, pesticides, organic materials and other compounds intermediates.
preparation method: 4-cyanomethylphenylboronic acid ester is generally prepared by reacting benzene borate ester and bromoacetonitrile. First, the benzoborate ester is added to the solvent, then bromoacetonitrile is added, and the reaction is heated. After completion of the reaction, the product is purified by crystallization or column chromatography.
SAFETY INFORMATION: The safety data for 4-cyanomethylboronic acid ester is not sufficient. However, as an organic compound, the following safety measures should be paid attention to when using or handling: Appropriate personal protective equipment must be worn, including chemical goggles, protective gloves and laboratory coats. Avoid contact with skin, eyes and inhalation of vapors. Avoid fire and high temperature during use or storage. It should be operated in a well-ventilated area and waste should be properly disposed.
Please note that the information provided in this article is for reference only. When using this compound, you should follow the safety operating procedures in the laboratory and refer to the safety data sheet and operating manual of the compound.
properties: 4-cyanomethylphenylboronic acid ester is a white crystalline solid, its chemical formula is C13H17BCNO2. It has a molecular weight of 239.09g/mol. It has low solubility at room temperature.
use: 4-cyanomethyl benzene borate which ester is an important reagent in organic synthesis. It can be used as a ligand and reagent, participating in metal-catalyzed reactions and C- C bond-forming reactions. It is commonly used in the synthesis of drugs, pesticides, organic materials and other compounds intermediates.
preparation method: 4-cyanomethylphenylboronic acid ester is generally prepared by reacting benzene borate ester and bromoacetonitrile. First, the benzoborate ester is added to the solvent, then bromoacetonitrile is added, and the reaction is heated. After completion of the reaction, the product is purified by crystallization or column chromatography.
SAFETY INFORMATION: The safety data for 4-cyanomethylboronic acid ester is not sufficient. However, as an organic compound, the following safety measures should be paid attention to when using or handling: Appropriate personal protective equipment must be worn, including chemical goggles, protective gloves and laboratory coats. Avoid contact with skin, eyes and inhalation of vapors. Avoid fire and high temperature during use or storage. It should be operated in a well-ventilated area and waste should be properly disposed.
Please note that the information provided in this article is for reference only. When using this compound, you should follow the safety operating procedures in the laboratory and refer to the safety data sheet and operating manual of the compound.
Last Update：2024-04-09 21:01:54
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CAS: 138500-86-4
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CAS: 138500-86-4
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