Structure of 2039-83-0
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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. : | 2039-83-0 |
Formula : | C8H6Cl2 |
M.W : | 173.04 |
SMILES Code : | C=CC1=CC=C(Cl)C(Cl)=C1 |
MDL No. : | MFCD00013625 |
InChI Key : | BJQFWAQRPATHTR-UHFFFAOYSA-N |
Pubchem ID : | 74869 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302 |
Precautionary Statements: | P280-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 (S)-N-((R)-3,3-dimethylbutan-2-yl)-3,3-dimethyl-2-(((1-methyl-1H-imidazol-2-yl)methyl)amino)butanamide; iron(III) chloride hexahydrate; dihydrogen peroxide; In tert-Amyl alcohol; water; at 20℃; for 1h; | General procedure: To a solution of FeCl3 6 H2O (6.8 mg, 25.0 mumol, 5 mol%) in 9 mL 2-Me-2-BuOH, an imidazole basedligand (50.0 mumol, 10 mol%) was added at room temperature under air. After addition of the olefin (500mumol), H2O2 (30 wt% in H2O, 170 muL, 1.50 mmol) mixed with 830 muL 2-Me-2-BuOH was added via syringepump over a 1 h period. The reaction was quenched with 50 muL saturated aqueous Na2SO3 solution. Afterextraction with CH2Cl2, the organic phases were combined and evaporated to dryness. The crude mixture was filtered through a SiO2-plug (1 cm, eluted with CH2Cl2). In order to determine the yield via 1H-NMR,pyrazine was added in a defined amount as an internal standard. Afterwards, purification was carriedout by means a preparative TLC plate (hexane/ethyl acetate) for the HPLC sample preparation in orderto determine enantioselectivity. |