4-ACETYLBENZENEBORONIC ACID
4-Acetylphenylboronic acid
CAS: 149104-90-5
Molecular Formula: C8H9BO3
4-ACETYLBENZENEBORONIC ACID - Names and Identifiers
| Name | 4-Acetylphenylboronic acid |
| Synonyms | AKOS BRN-0001 TIMTEC-BB SBB000146 RARECHEM AH PB 0162 4-Boronoacetophenone 4-ACETYLPHENYLBORONIC ACID P-Acetylphenylboronic acid P-ACETYLPHENYLBORONIC ACID 4-Acetylphenylboronic acid 4-ACETYLBENZENEBORONIC ACID ACETOPHENONE-4-BORONIC ACID 2-(dipropan-2-ylamino)ethanol Boronic acid, (4-acetylphenyl)- (9CI) |
| CAS | 149104-90-5 |
| EINECS | 629-086-3 |
| InChI | InChI=1/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3 |
4-ACETYLBENZENEBORONIC ACID - Physico-chemical Properties
| Molecular Formula | C8H9BO3 |
| Molar Mass | 163.97 |
| Density | 1.19±0.1 g/cm3(Predicted) |
| Melting Point | 240-244°C(lit.) |
| Boling Point | 354.2±44.0 °C(Predicted) |
| Flash Point | 168°C |
| Water Solubility | 25 g/L |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 1.25E-05mmHg at 25°C |
| Appearance | White solid |
| Color | Pale yellow to yellow |
| BRN | 7869162 |
| pKa | 7.58±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.535 |
| MDL | MFCD01074667 |
4-ACETYLBENZENEBORONIC 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 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| HS Code | 29310095 |
| Hazard Note | Irritant/Keep Cold |
| Hazard Class | IRRITANT |
4-ACETYLBENZENEBORONIC ACID - Reference Information
| application | 4-acetylphenylboronic acid is an arylboronic acid compound. As a safe and environmentally friendly new arylation reagent, aryl boric acid compounds are widely used in the scientific research and production of various fine chemicals with aryl structures such as medicine, pesticides, advanced materials, etc. Boric acid compounds are widely used in Suzuki cross-coupling reactions. Suzuki-Miyaura coupling reaction (SMC) is an important reaction for constructing various C- C single bonds. Its main raw material is organic boric acid compound. |
| preparation | in air, ferrous iodide (0.05mmol), 4-vinylphenylboronic acid (0.5mmol), tris (trimethylsilyl) silane (2.0mmol) and cyclopentanol (2.0mL) are sequentially added to 25mL reaction bottle. After mixing uniformly at room temperature, the reaction mixture reacts at 80°C for 24h. At the end of the reaction, ammonia water (0.5mL) was added and stirred for 1h. Then, 5mL of water was added, and ether was used for extraction (5mL × 3), organic phases were combined, and solvent was distilled under reduced pressure to obtain yield 89% after column chromatography separation. |
Last Update：2024-04-10 22:29:15
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CAS: 149104-90-5
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