Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Dimethylamine | HCID 674 | — |
| Reactant | Formaldehyde | HCID 712 | — |
| Reactant | Methyl iodide | HCID 6328 | — |
| Reactant | 5-Methoxy-2-methylindole | HCID 70642 | — |
| Reactant | Trimethylsilyl cyanide | HCID 82115 | — |
| Reactant | Tetrabutylammonium Fluoride | HCID 2724141 | — |
| Solvent | Acetic Acid | HCID 176 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | HCID 10703201 | HCID 10703201 | 44.3% |
Reaction Steps
To a solution of 5-methoxy-2-methylindole (1.0 g, 6.2 mmol, 1.0 eq.) in a mixture of acetic acid (2 mL) and water (1 mL) were added, at 0° C., formaldehyde (906 μL, 37% in H2O, 11.2 mmol, 1.8 eq) and dimethylamine (1.54 mL, 40% in H2O, 13.6 mmol, 2.2 eq). The mixture was stirred at room temperature for 2 hours and then, quenched with ice and 5 M aqueous sodium hydroxide. The mixture was extracted with dichloromethane and then, the organic layer was dried over MgSO4 and partially evaporated. To the solution gramine in dichloromethane (20 mL) were added, under an argon atmosphere, anhydrous toluene (40 mL) and methyl iodide (772 μL, 12.4 mmol, 2.0 eq.). The mixture was stirred at room temperature for 12 hours and then, concentrated under reduced pressure. To the residue taken up in anhydrous THF (60 mL) were added, under an argon atmosphere, TMSCN (1.17 mL, 9.3 mmol, 1.5 eq.) and TBAF (18.6 mL, 1M, 18.6 mmol, 3.0 eq.). The mixture was stirred at room temperature for 4 hours and then, concentrated. The crude was taken up in ethyl acetate and the organic layer was washed with a saturated aqueous bicarbonate solution and then dried over MgSO4. The solvent was removed and the residue purified by silica gel pad filtration (eluent: EtOAc) to afford (5-methoxy-2-methyl-1H-indol-3-yl)-acetonitrile as a yellow solid (0.55 g, 44%).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09212138B2 |
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| Source dataset | uspto-grants-2015_12 |
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| ORD ID | ord-89c18dacdb5547ab98c0e724d54c4032 |
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| Source note | uspto-grants-2015_12 |
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