4-FORMYLPHENYLBORONIC ACID
4-Formylphenylboronic acid
CAS: 87199-17-5
Molecular Formula: C7H7BO3
4-FORMYLPHENYLBORONIC ACID - Names and Identifiers
| Name | 4-Formylphenylboronic acid |
| Synonyms | AKOS BRN-0111 RARECHEM AH PB 0193 TIMTEC-BB SBB004077 4-BORONOBENZALDEHYDE P-FORMYLPHENYLBORONIC ACID 4-FORMYLPHENYLBORONIC ACID 4-Formylphenylboronic acid 4-Formylbenzeneboronic acid 4-FORMYLBENZENEBORONIC ACID 4-Boronobenzaldehyde~4-Formylphenylboronic acid 4-(Dihydroxyboryl)benzaldehyde, 4-Boronobenzaldehyde |
| CAS | 87199-17-5 |
| EINECS | 438-670-5 |
| InChI | InChI=1/C7H7BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5,10-11H |
| InChIKey | VXWBQOJISHAKKM-UHFFFAOYSA-N |
4-FORMYLPHENYLBORONIC ACID - Physico-chemical Properties
| Molecular Formula | C7H7BO3 |
| Molar Mass | 149.94 |
| Density | 1.24±0.1 g/cm3(Predicted) |
| Melting Point | 237-242 °C (lit.) |
| Boling Point | 347.6±44.0 °C(Predicted) |
| Water Solubility | Slightly Soluble in water. |
| Solubility | <10g/l |
| Vapor Presure | 0Pa at 25℃ |
| Appearance | Solid |
| Color | Clear colorless to yellow-orange |
| BRN | 3030770 |
| pKa | 7.34±0.10(Predicted) |
| PH | 5.5 (1g/l, H2O, 20℃) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Sensitive | Air Sensitive |
| MDL | MFCD00151823 |
4-FORMYLPHENYLBORONIC ACID - Risk and Safety
| Risk Codes | R34 - Causes burns R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. 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. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S37/39 - Wear suitable gloves and eye/face protection S36 - Wear suitable protective clothing. |
| UN IDs | UN 1759 8/PG 3 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10 |
| TSCA | T |
| HS Code | 29163990 |
| Hazard Note | Irritant |
| Hazard Class | IRRITANT, AIR SENSIT |
4-FORMYLPHENYLBORONIC ACID - Reference Information
| LogP | 1.36 at 20℃ |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| properties | white to pale yellow crystalline powder. |
| Use | after the first artificial synthesis of organic boronic acid compounds in 1860, due to its special atomic configuration, and stable and environmentally friendly properties, has been widely used in organic synthesis, carbohydrate and ion recognition and biomedical fields. 4-formylphenylboronic acid is a kind of organic boronic acid compound, which can be used to identify and detect the presence and concentration of various sugars in organisms. |
| Application | 4-formylphenylboronic acid is a boronic acid substance that can be used in Suzuki reactions, it can be used as a substrate for Suzuki cross-coupling reactions. 4-formylphenylboronic acid can be used for the synthesis of (E)-4 '-(2-quinolin-2-ethenyl) in the laboratory development and organic synthesis process-Biphenyl-4-carboxaldehyde and fluorene derivatives. |
| preparation | Methanol is used as raw material, first enters the evaporator, is heated and vaporized into steam, after superheating, it enters the dehydrogenation reactor for catalytic dehydrogenation. The reaction conditions are temperature 150~350 ℃, pressure 0~0.2MPa, and the catalyst is a composite catalyst containing various oxides. The heat required for the dehydrogenation reaction can be supplied by the circulating heat carrier heating system provided by the heating furnace, and the reaction product is cooled and then enters the separation and refining system, which is generally carried out in the distillation column. The unconverted methanol is separated and then returned to the vaporizer for recycling, and the hydrogen-containing tail gas can be sent to the PSA-H2 hydrogen extraction unit for recovery of pure hydrogen, the refined methyl formate whose content is greater than or equal to 97% is sent to an amination reactor for amination reaction with anhydrous methylamine. The conditions of amination reaction are temperature 0~90 ℃, pressure 0~1.5MPa, the optimum operating conditions are temperature 20~60 ℃, pressure 0.1~0.6MPa, it can also be performed at normal pressure. The ratio of the raw materials is methyl formate: methylamine = 1.02-1.15: 1. The selectivity of the amination reaction was greater than 99%. The amination reaction product enters the separation system, and is generally carried out in the distillation column. A small amount of excess amination reactant is returned to the amination reactor for recycling, and the crude 4-formylphenylboronic acid is then subjected to rectification, finally, a purified 4-formylphenylboronic acid product with a purity of more than 99.5% was obtained. |
Last Update：2024-04-09 02:00:12
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