2-BROMO-5-IODOBENZOIC ACID

White powder

Sulfuric acid (294.4g) was added to the reaction flask, the temperature was lowered to 5-10°C, and o-bromobenzoic acid (126.9g, 0.456mol) and dichloromethane (687g) were added.Raise the temperature to 15-20°C and add 1, 3-diiodo-5, 5-dimethylhydantoin in 4 batches(126.9 g, 0.25 mol, prepared in Example 1), After reacting at 15-20°C for 2 hours, the reaction solution was poured into 686.9 g of ice water, and the temperature in the reactor was controlled at 15-25°C.An additional 45.8 g of esther kettle was added and MTBE (800 g) was added and the mixture was stirred and extracted for 20 min. Separate the layers and separate the upper organic layers. The aqueous layer is then extracted with MTBE (458g). After stirring for 20 minutes, the layers are separated and the upper organic layer is separated. The above organic phases are combined.15-25 ° C, add 126.04g 5percent sodium sulfite aqueous solution for 30min, Stratified, the organic layer is evaporated to atmospheric pressure at 60°C without distillation.Then, the MTBE was evaporated to dryness under reduced pressure, toluene (458 g) was added, and the temperature was raised to 95°C. All the materials in the reactor were dissolved.Cool down to 18-22 °C, filter, and add toluene to rinse the cake.Drying at 50-55°C under vacuum (-0.095 MPa) gave 109.4 g of an off-white solid product with a content of ≥98percent and a yield of 73.5percent.

Molecular Weight:326.91
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:325.84394
Monoisotopic Mass:325.84394
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes