Structure of 7137-97-5
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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.
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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. : | 7137-97-5 |
Formula : | C10H13NO |
M.W : | 163.22 |
SMILES Code : | CCCCC(C1=NC=CC=C1)=O |
MDL No. : | MFCD07699185 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H315-H319-H335 |
Precautionary Statements: | P261-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 |
---|---|---|
29% | With oxygen; caesium carbonate; In alpha,alpha,alpha-trifluorotoluene; at 105.0℃; for 20.0h;Air atmosphere; Ionic liquid; | General procedure: The oxidation of 1-phenyl-1-pentanol (1a) is representative (Table 2, entry 1): BMI-PF6 (85 mg, 0.30 mmol), 1-phenyl-1-pentanol (1a, 33 mg, 0.20 mmol), Cs2CO3 (33 mg, 0.10 mmol), and trifluoromethylbenzene (0.10 mL) were placed in a reaction flask with a reflux condenser and a drying tube lined with calcium chloride. The resulting mixture was stirred for 20 h at 105 C. The reaction mixture was diluted with ethyl acetate and poured into water. The mixture was extracted with ethyl acetate three times. The combined organic layer was dried over Na2SO4, filtered through a pad of neutral alumina, and concentrated under reduced pressure. Purification by column chromatography on silica gel with hexane/ethyl acetate (10:1, v/v) as an eluent afforded 1-phenyl-1-pentanone (2a, 28 mg, 0.17 mmol) in 86% yield. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
98% | With palladium 10% on activated carbon; hydrogen; In methanol; 1,2-dichloro-ethane; at 20.0℃; under 2585.81 Torr; for 6.5h; | General procedure: The suspension of 6d (326mg, 2.0mmol), 10% Pd-C (163mg, 50wt%), and ClCH2CHCl2 (320mg, 2.4mmol) in MeOH (30mL) was hydrogenated on a Parr-Hydrogenator (40psi, about 2.7atm) at room temperature until the absorption of hydrogen ceased (4.2h). After the Pd-C catalyst was filtered off, the solvent was removed on a rotavapor. The residue was diluted with diethyl ether (10mL) to give the desired product 7d·HCl (410mg, 99%) as a white crystal. The product was collected simply by a filtration and usually was pure enough for any analytical purposes. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In aq. phosphate buffer; at 140.0℃; for 2.0h;pH 6.5;Sealed tube; | General procedure: The amounts of reactants used were GSH (0.30 mmol), glucose(0.30 mmol), and aldehyde (0.70 mmol, each). The reactants were weighed according to the respective systems and dissolved in 5 mL of phosphate buffer (0.2 M, pH 6.5) in a 15-mL pressure resistant tube.Then the tubes were sealed and heated at 140 C while stirring for 0.16, 0.25, 0.5, 1, 2, 3, or 4 h. Two replicates were performed. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In aq. phosphate buffer; at 140.0℃; for 2.0h;pH 6.5;Sealed tube; | General procedure: The amounts of reactants used were GSH (0.30 mmol), glucose(0.30 mmol), and aldehyde (0.70 mmol, each). The reactants were weighed according to the respective systems and dissolved in 5 mL of phosphate buffer (0.2 M, pH 6.5) in a 15-mL pressure resistant tube.Then the tubes were sealed and heated at 140 C while stirring for 0.16, 0.25, 0.5, 1, 2, 3, or 4 h. Two replicates were performed. |