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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.
4-Butylresorcinol, a phenol derivative, is an inhibit of tyrosinase with IC50 of 11.27 μM.
Synonyms: Butylresorcinol; Rucinol; 4-n-Butylresorcinol
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Batch number can be found on the product's label following the word 'Batch'.
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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'.
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. : | 18979-61-8 |
Formula : | C10H14O2 |
M.W : | 166.22 |
SMILES Code : | OC1=CC=C(CCCC)C(O)=C1 |
Synonyms : |
Butylresorcinol; Rucinol; 4-n-Butylresorcinol
|
MDL No. : | MFCD01684800 |
InChI Key : | CSHZYWUPJWVTMQ-UHFFFAOYSA-N |
Pubchem ID : | 205912 |
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 |
---|---|---|
87% | With palladium 10% on activated carbon; hydrogen; In methanol; at 80℃; under 11251.1 Torr;Autoclave; | 1.0L autoclave was added 90.1g (0.5mol) 4- butyryl resorcinol, was added 500ml methanol, 10percent wet Pd / C (20.0g), was heated to 80 , introducing hydrogen pressure of 1.5MPa , GC track to complete the reaction.The reaction was filtered recovered Pd / C, the filtrate was concentrated to give a pale red oily liquid, methylene chloride and n-hexane to give 72.3g 4- recrystallized butyl resorcinol, GC> 99.0percent, 87.0percent yield, two steps The total yield of 77.6percent. |
601 g | With triethylsilane; trifluoroacetic acid; at 0 - 60℃;Green chemistry; | (2) 4-n-butyryl resorcinol (724 g, 4.02 mol) was dissolved in trifluoroacetic acid (2.29 kg, 20.1 mol),The ice water bath was cooled to 0 ° C, and triethylsilane (1.4 kg, 12.06 mol) was added dropwise. After the addition, the reaction solution was heated to 60 ° C and stirred.overnight. After the reaction of the raw materials is completed, the reaction solution is poured into water and quenched, and the mixture is stirred and allowed to stand for separation. The organic layer is ethyl acetate.The organic layer was washed with brine, dried over anhydrous sodium sulfate TheThe crude product was recrystallized from n-hexane and dichloromethane.4-n-butylresorcinol (601 g, Figure 2, GC: 99.9percent),The total yield was 79.6percent. |