[4-(dimethylcarbamoyl)phenyl]boronic acid
4-(N,N-Dimethylaminocarbonyl)phenylboronic acid
CAS: 405520-68-5
Molecular Formula: C9H12BNO3
[4-(dimethylcarbamoyl)phenyl]boronic acid - Names and Identifiers
[4-(dimethylcarbamoyl)phenyl]boronic acid - Physico-chemical Properties
| Molecular Formula | C9H12BNO3 |
| Molar Mass | 193.01 |
| Density | 1.20±0.1 g/cm3(Predicted) |
| Melting Point | 141-145 °C |
| Boling Point | 407.4±47.0 °C(Predicted) |
| Flash Point | 200.2°C |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 2.27E-07mmHg at 25°C |
| Appearance | Solid |
| Color | White to Almost white |
| pKa | 7.76±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.553 |
| MDL | MFCD02258943 |
| Use | Reactant for preparation of: 1.Selective glucocorticoid receptor agonists. 2.(thienopyridine)carboxamides as checkpoint 1 kinase (CHK1) inhibitors. 3. [(pyrrolo[2,3-b]pyridinyl)methylene]hydroxybenzofuranones as ATP-competitive inhibitors of the mamm |
[4-(dimethylcarbamoyl)phenyl]boronic acid - 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| WGK Germany | 1 |
| Hazard Note | Irritant/Keep Cold |
[4-(dimethylcarbamoyl)phenyl]boronic acid - Introduction
4-(N,N-Dimethylaminocarbonyl)phenylboronic acid is an organic compound with the chemical formula C10H14BNO3.
Nature:
-Appearance: white crystalline solid or powdery substance;
-Melting point: 144-146°C;
-Solubility: Soluble in most organic solvents.
Use:
-As an intermediate in organic synthesis, used in the preparation of other organic compounds;
-As a reactant or catalyst in metal-catalyzed reactions.
Preparation Method:
4-(N,N-Dimethylaminocarbonyl)phenylboronic acid can be prepared by the following steps:
1. Preparation of N,N-dimethylcarbamate (dimethylaminomethyl formate);
2. N,N-dimethylcarbamate reacts with phenylboronic acid under appropriate conditions to generate 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid.
Safety Information:
- 4-(N,N-Dimethylaminocarbonyl) The specific hazards and safety information of phenylboronic acid need to refer to relevant safety data tables;
-in use need to wear appropriate protective equipment, such as chemical goggles, gloves, etc., and maintain a good ventilation environment;
-Avoid contact with skin, eyes and respiratory tract;
-storage should be sealed, away from heat and fire sources, to avoid contact with oxidants and acidic substances.
Nature:
-Appearance: white crystalline solid or powdery substance;
-Melting point: 144-146°C;
-Solubility: Soluble in most organic solvents.
Use:
-As an intermediate in organic synthesis, used in the preparation of other organic compounds;
-As a reactant or catalyst in metal-catalyzed reactions.
Preparation Method:
4-(N,N-Dimethylaminocarbonyl)phenylboronic acid can be prepared by the following steps:
1. Preparation of N,N-dimethylcarbamate (dimethylaminomethyl formate);
2. N,N-dimethylcarbamate reacts with phenylboronic acid under appropriate conditions to generate 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid.
Safety Information:
- 4-(N,N-Dimethylaminocarbonyl) The specific hazards and safety information of phenylboronic acid need to refer to relevant safety data tables;
-in use need to wear appropriate protective equipment, such as chemical goggles, gloves, etc., and maintain a good ventilation environment;
-Avoid contact with skin, eyes and respiratory tract;
-storage should be sealed, away from heat and fire sources, to avoid contact with oxidants and acidic substances.
Last Update：2024-04-10 22:29:15
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