Molecular Formula | C8H6BrNO2 |
Molar Mass | 228.04 |
Density | 1.676 |
Melting Point | 220-225 °C |
Boling Point | 376.8±42.0 °C(Predicted) |
Solubility | DMSO, Methanol |
Appearance | Crystalline powder |
Color | Light Brown |
pKa | 11.89±0.20(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
MDL | MFCD00461173 |
Use | It is used to construct the structural unit of pyrimidine-substituted benzoxazinone and small molecule rennet inhibitor. |
Hazard Symbols | Xn - Harmful |
Risk Codes | R22 - Harmful if swallowed R36/37/38 - 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. |
WGK Germany | 2 |
Overview | 6-bromo-2H-1, 4-benzoxazine -3(4H)-one is an organic intermediate that can be used to prepare a class of PPAR agonistic drugs. |
preparation | 6-bromo -2H-1, 4-benzoxazine -3(4H)-ketone can be prepared by the following steps: 2-amino -4-bromophenol (2.5g,13mmol) is weighed into a three-mouth bottle, tetrahydrofuran 80mL is added into the system, triethylamine (2.4mL,17mmol) added. The reaction system was cooled to 0 ℃, and chloroacetyl chloride (1.12mL, 14mmol) was added dropwise to the reaction system. After adding, it was stirred at 0 ℃ for 10 minutes, and then stirred to room temperature for 2 hours. Then the system was reduced to 0 ℃, sodium hydride (1.05g,26mmol) was added in batches, and the reaction system was reduced to 0 ℃ for 20 minutes and then raised to room temperature for 2 hours. Concentrate the reaction system, add 100mL of water to quench the reaction, filter the precipitate, wash with water, and dry the filter cake. Get 2.5g of red solid. |
Use | Used to construct the structural unit of pyrimidine-substituted benzoxazinone and small molecule rennet inhibitor. |