17933-03-8
3-Tolylboronic acid
CAS: 17933-03-8
Molecular Formula: C7H9BO2
17933-03-8 - Names and Identifiers
| Name | 3-Tolylboronic acid |
| Synonyms | 3-Tolylboronic acid m-Tolylboronic acid 3-Methylphenylboric acid m-Methylborophenylic acid 3-METHYLPHENYLBORONIC ACID m-Methylbenzeneboronic acid 3-methylbenzeneboronic acid (3-methylphenyl)boronic acid 3-Methyl Phenyl Boronic Acid Boronic acid, (3-methylphenyl)- 3-Methylphenylboronic Acid (contains varying amounts of Anhydride) |
| CAS | 17933-03-8 |
| EINECS | 605-855-9 |
| InChI | InChI=1/C7H9BO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5,9-10H,1H3 |
| InChIKey | BJQCPCFFYBKRLM-UHFFFAOYSA-N |
17933-03-8 - Physico-chemical Properties
| Molecular Formula | C7H9BO2 |
| Molar Mass | 135.96 |
| Density | 1.10±0.1 g/cm3(Predicted) |
| Melting Point | 160-162°C(lit.) |
| Boling Point | 290.4±33.0 °C(Predicted) |
| Flash Point | 129.4°C |
| Water Solubility | Slightly soluble in water |
| Vapor Presure | 0.000954mmHg at 25°C |
| Appearance | White-like crystal |
| Color | Beige |
| BRN | 2935968 |
| pKa | 8.63±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.527 |
| MDL | MFCD00040198 |
17933-03-8 - 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 |
| RTECS | ED7788888 |
| TSCA | No |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
17933-03-8 - Reference Information
| introduction | the melting point of 3-methylphenylboronic acid is 160-162 c (lit.), the boiling point is 290.4±33.0 c (Predicted), the density is 1.10±0.1g/cm3(Predicted) and the acidity coefficient (pKa) is 8.63±0.10(Predicted). The substance irritates the eyes, respiratory system and skin. |
| Uses | 3-methylphenylboronic acid is a carboxylic acid derivative, used as a pharmaceutical intermediate, used in pharmaceutical synthesis and scientific experimental research. |
| synthesis method | diisopropylaminoborane (2.4 ml, 2.4 mmol, 1.2 equivalent) was added to a 50 ml round bottom flask equipped with a magnetic stirring rod and a rubber diaphragm. Under stirring at 0°C (ice bath), o-tolyl magnesium bromide (2 mL,2.0 mmol,1 equivalent) was added dropwise through a syringe within 5 minutes. After 1 hour, with the reaction still on ice, add 3M HCl(5ml) dropwise within 5 minutes, and stir for 30 minutes. The reaction mixture was then refluxed for 15 minutes. After reflux, the solution was transferred to a separatory funnel and extracted with Et2O(2 × 15ml). The organic layers were combined, extracted with 1M HCl(4 × 15ml), dried with anhydrous MgSO4, and evaporated in vacuum (25°C,1 Torr). 3-Methylphenylboronic acid; White powder; 88% yield (0.458g). 1H NMR(500MHz,CDCl3):δ2.82,7.28(m,2H),7.46(dt,J = 1.5,7Hz,1H),8.22(dd,J = 7Hz,1 h);13C NMR(125.7MHz,CDCl3):δ23.1, 125.3, 130.7, 132.3, 137.4, 146.4;11B NMR(160.4MHz,CDCl3):δ +31.9. |
Last Update：2024-04-10 22:29:15
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