Structure of 7072-01-7
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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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Batch number can be found on the product's label following the word 'Batch'.
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CAS No. : | 7072-01-7 |
Formula : | C12H14O2 |
M.W : | 190.24 |
SMILES Code : | O=CC1=C(C)C(C)=C(C=O)C(C)=C1C |
MDL No. : | MFCD00194529 |
InChI Key : | PWVFZPCOVWTNCN-UHFFFAOYSA-N |
Pubchem ID : | 352100 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302-H312-H332 |
Precautionary Statements: | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 |
* 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 |
---|---|---|
50% | With iodine; In acetonitrile; at 20℃; for 7h; | General procedure: A round-bottomed flask (10 mL) was charged with dialdehyde (1.0 mmol),5-hydroxyindole (0.53 g, 4 mmol), and iodine (0.05 g, 0.2 mmol) in MeCN (5 mL).This mixture was then stirred at room temperature for 0.5 to 8 h. The reactionmixture was treated with aqueous Na2S2O3, andthe solution was extracted with ethyl acetate (3 × 20 mL). The combined organiclayers were dried over MgSO4 and filtered. The solvent wasremoved under reduced pressure, and the residue was subjected to columnchromatography (ethyl acetate/hexane, 1/1), followed by recrystallization |