Molecular Formula | C12H16BNO4 |
Molar Mass | 249.07 |
Density | 1.14±0.1 g/cm3(Predicted) |
Melting Point | 76-80 °C (lit.) |
Boling Point | 351.7±25.0 °C(Predicted) |
Flash Point | 166.5°C |
Vapor Presure | 8.17E-05mmHg at 25°C |
Appearance | solid |
Color | white to off-white |
Storage Condition | 2-8°C |
Refractive Index | 1.515 |
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 - Wear suitable protective clothing and gloves. |
WGK Germany | 2 |
TSCA | No |
Use | 3-nitrobenzeneboronic acid-alkanol ester can be used as a pharmaceutical synthesis intermediate. |
preparation | the preparation of 3-nitrobenzeneboronic acid cyanate ester is as follows: in a dry tubular reactor under argon, 3-nitrobenzenediazotetrafluoroborate (1mmol) and ferrocene (10 μmol,1.8mg) were dissolved in 2ml of anhydrous CH3CN. Diisopropylaminoborane (2mmol,226mg) was then added to the solution, and the mixture was stirred at room temperature for 2 hours and 30 minutes. The reaction mixture (2ml) was quenched by slow addition of anhydrous MeOH at 0 °c and stirred for an additional 1 hour at room temperature. After removal of all volatiles, to Et2O(2ml) was added 1.3 equivalents of sterol and the mixture was stirred at room temperature for 4 hours. The crude mixture was washed with 50g / L CuCl2 solution (2 x 5ml). The organic layer was removed, dried over Na2SO4, filtered and concentrated to dryness. The resulting oil was dissolved with CH2Cl 2 and the silica gel pad was filtered and eluted with CH2Cl2 to give the corresponding Boronic ester, 3-nitrobenzeneboronic acid cyanol ester. |