Structure of 28746-99-8
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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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CAS No. : | 28746-99-8 |
Formula : | C12H20O2 |
M.W : | 196.29 |
SMILES Code : | O=C1C(C2(O)CCCCC2)CCCC1 |
MDL No. : | MFCD03837683 |
InChI Key : | AERVJOBGBMEFDV-UHFFFAOYSA-N |
Pubchem ID : | 566680 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302-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 |
---|---|---|
With sodium hydroxide; at 20℃; for 72h; | Dodecahydrotriphenylene (2). Calcined anhydrous sodiumhydroxide (6 g, 0.15 mol) was added to anhydrous freshly distilled cyclohexanone (60 mL, 0.58 mol) and the mixture obtained was stirred at room temperature for three days. Then, water (150 mL) was added to the reaction mixture with stirring, a precipitate was filtered off, washed with 10% aqueous HCl and water, and dried. The mixture of intermediate products without additional purification was added to polyphosphoric acid (40 g) and stirred for 2 h at 150 C. Then, the reaction mixture was mixed with anhydrous sodium sulfate (100 g), placed into a Soxhlet extractor, and the product was continuously extracted with light petroleum (b.p. 40-70 C). A precipitate was filtered off, washed with hexane, and dried. The yield was 24 g (52%), |
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