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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1503118Generated: October 31, 2026

Isopropyl iodide → HCID 49854630, compound

https://huagongshe.com/reaction/1503118

Reaction equation

Participants

RoleNameHCIDCharge
ReactantIsopropyl iodideHCID 6362—
ReactantPotassium CarbonateHCID 11430—
ReactantSodium MethoxideHCID 10942334—
ReactantHCID 67514100HCID 67514100—
SolventDimethyl SulfoxideHCID 679—
SolventDiethyl EtherHCID 3283—
SolventHeptaneHCID 8900—
ProductHCID 49854630HCID 49854630—

Reaction Steps

To a solution of tert-butyl 3-(1-cyano-2-(pyridin-3-yl)vinyl)-5-hydroxy-1H-indole-1-carboxylate (see example 22) (110 mg, 0.30 mmol, 1.0 eq.) and isopropyl iodide (40 μL, 0.40 mmol, 1.3 eq.) in DMSO (8 mL) was added potassium carbonate (100 mg, 0.73 mmol, 2.4 eq.). The reaction apparatus was protected from light and the mixture was stirred at room temperature for 24 hours before sodium methanolate (41 mg, 0.75 mmol, 2.5 eq.) was added. The reaction was pursued at room temperature for 1 hour, and then quenched with a saturated aqueous ammonium chloride solution. The mixture was extracted with ethyl acetate and the organic layer was washed with brine, and then dried over MgSO4. The solvent was removed under reduced pressure, and the residue purified by silica gel flash-column chromatography (eluent: heptane/EtOAc, 60:40 to 40:60) to afford, after trituration with diethyl ether, the compound (23) as a yellow powder (50 mg, 55%). TLC: Rf=0.25 (heptane 40/EtOAc 60); mp: 211° C.; IR νmax (cm-1): 2218 (νCN); 1H NMR (DMSO, 300 MHz): δ (ppm): 1.29 (6H, d, J9′-8′=J9′-8′=6.1 Hz, 3H9′ and 3H10′), 4.65 (1H, h, J8′-9′=J8′-9′=6.1 Hz, H8′), 6.90 (1H, dd, J6′-7′=8.9 Hz, J6′-4′=2.1 Hz, H6′), 7.39 (1H, d, J7′-6′=8.9 Hz, H7′), 7.51 (1H, d, J4′-6′=2.1 Hz, H4′), 7.54 (1H, dd, J5″-4″=7.9 Hz, J5″-6″=4.9 Hz, H5″), 7.73 (1H, s, H3), 7.79 (1H, s, H2′), 8.32 (1H, d, J4″-5″=7.9 Hz, H4″), 8.59 (1H, dd, J6″-5″=4.9 Hz, J6″-4″=1.2 Hz, H6″), 8.98 (1H, d, J2″-4″=1.6 Hz, H2″), 11.64 (1H, s, indolic H); 13C NMR (DMSO, 75.5 MHz): δ (ppm): 22.5 (C9′ and C10′), 70.7 (C8′), 105.9 (C4′), 108.7 (C2), 110.6 (C3′), 113.6 (C6′), 114.6 (C7′), 118.6 (C1), 124.1 (C5″), 124.6 (C3a′), 128.1 (C2′), 131.4 (C3″), 132.7 (C3), 132.9 (C7a′), 135.1 (C4″), 150.0 (C6″), 150.4 (C2″), 152.9 (C5′); ESI-MS: m/z 304.1 ([M+H]+), 326.1 ([M+Na]+); HRESI-MS: m/z 304.1448 (calcd for C19H18N3O, 304.1450).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09212138B2
Source datasetuspto-grants-2015_12
ORD IDord-a0818044ca554de68672cb83396dfc8c
Source noteuspto-grants-2015_12