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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
Saccharin is an artificial sweetener with effectively no food energy, which has been used for the administration of Hypertension and Hyperglycemia and in various of biochemical tests.
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Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
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CAS No. : | 81-07-2 |
Formula : | C7H5NO3S |
M.W : | 183.18 |
SMILES Code : | O=C(C1=CC=CC=C12)NS2(=O)=O |
MDL No. : | MFCD00005866 |
InChI Key : | CVHZOJJKTDOEJC-UHFFFAOYSA-N |
Pubchem ID : | 5143 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
95% | In tetrahydrofuran; at 60℃; | General procedure: The 100mL round bottomed flask was charged with pyridine derivatives (or pyridine) (4.09mmol) and equimolar of saccharin (4.09mmol, 500mg) followed by the addition of 20mL THF as solvent. Then the reaction mixture was set to react in THF, at ca. 60°C for overnight. After the reaction, the solvent was removed by vacuum. The crude product was then obtained. Recrystallization proceeded with dissolution of crude product in methanol to form a saturated solution, to which a hexane overlayer (ca. 10cm high) was added. Solvent diffusion over a period of a week at room temperature afforded white crystals of the desired salt. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
66% | General procedure: Complexes 4, 6, 8 and 10-12 were prepared by the following method. SacH (0.5mmol, 91.6mg) in water (5mL) was added to a solution of Pd(OAc)2 (0.25mmol, 56.1mg) in MeCN (10mL) and the solution was stirred for 30min at rt. Then, the corresponding phosphine (0.5mmol) in MeOH (10mL) was added to this solution and the resulting solutions were refluxed over a day. Complexes 2, 5 and 9 were synthesized using the same procedure, but the SacH/phosphine ratio was 2:1. In the case of 9, DMSO (10mL) was added to the reaction medium to dissolve the solid particles. The powders of these complexes were obtained after removal of the solvents using a rotary evaporator. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
94% | In propan-1-ol; water; at 125℃; for 8.0h; | Put into 1000kg propanol water and stir in the reactor, add 183kg (1000mol) of saccharin successively, and then added 238.9kg (1000mol) of <strong>[138964-51-9]2-hydroxy-6-bromobenzopyridin-4-one</strong>, heated to 125C under pressure, and reacted under reflux for 8 hours, cool down and reduce pressure, steam to remove 600kg of reclaimed propanol, cool to 5C, and filter after standing for 12 hours to obtain yellow-brown product 4 379.6kg, yield 94%, |