Name | 4-Fluoro-3-formylbenzeneboronic acid |
Synonyms | AKOS BRN-0101 5-BORONO-2-FLUOROBENZALDEHYDE 5-Borono-2-fluorobenzaldehyde 4-Fluoro-3-Formylphenylboronic 4-Fluoro-3-formylphenylboronic acid 4-Fluoro-3-formylbenzeneboronic acid 4-FLUORO-3-FORMYLBENZENEBORONIC ACID (4-fluoro-3-formylphenyl)boronic acid 4-Fluoro-3-formylphenyl-borronic acid Boronic acid, (4-fluoro-3-formylphenyl)- (9CI) 5-Borono-2-fluorobenzaldehyde~4-Fluoro-3-formylphenylboronic acid |
CAS | 374538-01-9 |
InChI | InChI=1/C7H6BFO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-4,11-12H |
InChIKey | YABSTJQEBSKPCG-UHFFFAOYSA-N |
Molecular Formula | C7H6BFO3 |
Molar Mass | 167.93 |
Density | 1.33±0.1 g/cm3(Predicted) |
Melting Point | 215-220 °C |
Boling Point | 342.9±52.0 °C(Predicted) |
Flash Point | 161.2°C |
Vapor Presure | 2.8E-05mmHg at 25°C |
Appearance | powder to crystal |
Color | White to Almost white |
BRN | 9046762 |
pKa | 7.92±0.10(Predicted) |
Storage Condition | 2-8°C |
Sensitive | Air Sensitive |
Refractive Index | 1.524 |
MDL | MFCD02093074 |
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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
WGK Germany | 3 |
Hazard Note | Irritant |
Hazard Class | IRRITANT, AIR SENSIT |
application | 4-fluoro-3-aldehyde phenylboronic acid can be used as an intermediate in organic synthesis and a pharmaceutical intermediate, mainly used in laboratory research and development processes and chemical and pharmaceutical production processes. |
preparation | FeCl2 (3.2 mg, 0.025 mmol), aryl boron (0.25 mmol), K2S2O8 (68.3 mg, 0.25 mmol), tetra-n-butyl ammonium bromide (40.7 mg, 0.125 mmol), MeCN (1 mL), H2O (1 mL) and polymethylhydrosiloxane (170 μL), 0.75 mmol) into a 25 mL flask. The reaction mixture was stirred at atmospheric pressure and 80°C for 12 hours. Cool the mixture to room temperature. Dilute the reaction mixture with 10 mL saline and extract with ethyl acetate (3 x 10 mL) . The organic phases are combined and concentrated to obtain a crude product. The residue was purified by silica gel column chromatography (petroleum ether/ethyl acetate) to give (4-fluoro-3-formylphenyl) boric acid. |