Structure of 13519-75-0
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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. : | 13519-75-0 |
Formula : | C8H10ClN |
M.W : | 155.63 |
SMILES Code : | CCNC1=CC=C(Cl)C=C1 |
MDL No. : | MFCD00018594 |
Boiling Point : | No data available |
InChI Key : | KLWDPIXDUVYHMS-UHFFFAOYSA-N |
Pubchem ID : | 587841 |
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 |
---|---|---|
70% | With C20H25Cl2CoN3; sodium triethylborohydride; In 1,2-dimethoxyethane; at 100℃; for 6h;Inert atmosphere; | Under an inert atmosphere, the substrate 4-chloroacetanilide (170 mg, 1 mmol), polymethylhydrosiloxane (668 μL, 3 mmol), Co-2 catalyst (9.0 mg, 0.02 mmol), sodium triethylborohydride (40 μL, 0.04 mmol)were sequentially added to the reaction tube and ethylene glycol dimethyl ether (2 mL), and the resulting mixture was stirred well.The reaction was carried out in an oil bath at 100C for 6 hours. The reaction system was cooled to room temperature, diluted and quenched by adding ethyl acetate, and concentrated. The crude product was subjected to flash silica gel column chromatography to obtain 109 mg of light yellow oily liquid, yield: 70%. |
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