BOC-PYRROLE-2-BORONIC ACID
1-tert-Butoxycarbonyl-2-pyrrolylboronic acid
CAS: 135884-31-0
Molecular Formula: C9H14BNO4
BOC-PYRROLE-2-BORONIC ACID - Names and Identifiers
BOC-PYRROLE-2-BORONIC ACID - Physico-chemical Properties
| Molecular Formula | C9H14BNO4 |
| Molar Mass | 211.02 |
| Density | 1.13±0.1 g/cm3(Predicted) |
| Melting Point | 93-98 °C (dec.) (lit.) |
| Boling Point | 361.4±52.0 °C(Predicted) |
| Flash Point | 172.4°C |
| Solubility | Chloroform, Ethyl Acetate |
| Vapor Presure | 7.46E-06mmHg at 25°C |
| Appearance | Solid |
| Color | gray solid |
| BRN | 7993875 |
| pKa | 8.47±0.53(Predicted) |
| Storage Condition | -20°C |
| Refractive Index | 1.494 |
| MDL | MFCD01318939 |
BOC-PYRROLE-2-BORONIC ACID - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-21 |
| TSCA | No |
| HS Code | 29339900 |
| Hazard Note | Irritant |
| Hazard Class | KEEP COLD |
BOC-PYRROLE-2-BORONIC ACID - Reference Information
| introduction | 1-Boc-pyrrole -2-boric acid looks beige-light brown powder at room temperature and pressure, belonging to heterocyclic aromatic compounds, which can be used as intermediates in organic synthesis. 1-Boc-pyrrole-2-boric acid is a commercial organic synthon, which is used in common organic solvents such as dimethyl sulfoxide, N,N-dimethylformamide, ethyl acetate, dichloromethane The solubility is better, but the solubility in water is poor. |
| Uses | 1-Boc-pyrrole-2-boric acid is a common organic synthon, the main purpose is to participate in chiral drug molecules as a molecular skeleton And in the synthesis of biologically active molecules. Boric acid on the pyrrole ring can participate in Suzuki coupling, and a series of aryl, alkyl groups are attached to the second position of pyrrole. In addition, boric acid can also be oxidized to become hydroxyl groups under the oxidation of nitrogen oxides, and finally 2-oxo-2, 5-dihydro-pyrrole-1-carboxylic acid is obtained after tautomerization. Butyl ester. |
| Synthesis method | For the synthesis of 1-Boc-pyrrole -2-boric acid, the conventional synthesis method is to start from the pyrrole protected by Boc, the precursor of its hydroxyl group, and remove the hydrogen of the carbon atom at position 2 under the action of an appropriate strong base (such as LDA) to obtain the corresponding organolithium reagent, and then add trimethyl borate, finally, it can be obtained by hydrolysis. It should be noted that the hydrogen extraction process needs to be carried out at ultra-low temperature, generally requiring -78 ℃. |
Last Update：2024-04-09 02:00:06
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