129271-98-3
1-(phenylsulfonyl)-1H-indol-3-ylboronic acid
CAS: 129271-98-3
Molecular Formula: C14H12BNO4S
129271-98-3 - Names and Identifiers
| Name | 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid |
| Synonyms | AKOS BRN-0396 1-PHENYLSULFONYLINDOLE-3-BORONIC ACID 1-PHENYLSULPHONYLINDOLE-3-BORONIC ACID 1-(PHENYLSULFONYL)-3-INDOLEBORONIC ACID [1-(benzenesulfonyl)indol-3-yl]boronic acid 1-(Phenylsulphonyl)-1H-indole-3-boronic acid 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid 1-(PHENYLSULFONYL)-1H-INDOL-3-YLBORONIC ACID |
| CAS | 129271-98-3 |
| InChI | InChI=1/C14H12BNO4S/c17-15(18)13-10-16(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10,17-18H |
| InChIKey | YKTZLHLBQGCFQX-UHFFFAOYSA-N |
129271-98-3 - Physico-chemical Properties
| Molecular Formula | C14H12BNO4S |
| Molar Mass | 301.13 |
| Density | 1.34±0.1 g/cm3(Predicted) |
| Melting Point | 144°C (dec.)(lit.) |
| Boling Point | 581.4±60.0 °C(Predicted) |
| Flash Point | 305.41°C |
| Vapor Presure | 0mmHg at 25°C |
| pKa | 7.98±0.30(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.633 |
129271-98-3 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| Hazard Note | Irritant |
129271-98-3 - Introduction
1-(Phenylsulfonyl)-3-indole boronic acid is an organic compound with the chemical formula C16H11BNO5S.
Properties: 1-(Benzenesulfonyl)-3-indole boronic acid is a white or white crystalline solid with high thermal stability. It is soluble in water and in some organic solvents such as alcohols, ketones and ethers.
Purpose: 1-(Phenylsulfonyl)-3-indole boronic acid is commonly used as an intermediate in organic synthesis compounds for the synthesis of biologically active compounds. It can be used as a catalyst, coordination reagent and reagent reducing agent.
Preparation method: The preparation of 1-(phenylsulfonyl)-3-indole boronic acid can be achieved by nucleophilic substitution reaction. For example, indole can be reacted with benzenesulfonyl chloride, followed by reaction with boric acid and sodium hydroxide to give the desired product.
Safety Information: The safety of 1-(benzenesulfonyl)-3-indole boronic acid has not been fully studied. In the process of use, it is necessary to take appropriate protective measures to avoid direct contact with the skin and inhalation of its dust. At the same time, it needs to be stored in a closed container, away from fire and oxidant.
Properties: 1-(Benzenesulfonyl)-3-indole boronic acid is a white or white crystalline solid with high thermal stability. It is soluble in water and in some organic solvents such as alcohols, ketones and ethers.
Purpose: 1-(Phenylsulfonyl)-3-indole boronic acid is commonly used as an intermediate in organic synthesis compounds for the synthesis of biologically active compounds. It can be used as a catalyst, coordination reagent and reagent reducing agent.
Preparation method: The preparation of 1-(phenylsulfonyl)-3-indole boronic acid can be achieved by nucleophilic substitution reaction. For example, indole can be reacted with benzenesulfonyl chloride, followed by reaction with boric acid and sodium hydroxide to give the desired product.
Safety Information: The safety of 1-(benzenesulfonyl)-3-indole boronic acid has not been fully studied. In the process of use, it is necessary to take appropriate protective measures to avoid direct contact with the skin and inhalation of its dust. At the same time, it needs to be stored in a closed container, away from fire and oxidant.
Last Update：2024-04-10 22:29:15
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