HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2048613Generated: October 28, 2026
Hydrochloric Acid → Methyl 2-{[6-(2-cyanophenyl)pyridin-3-yl]methyl}-3-oxoheptanoate
https://huagongshe.com/reaction/2048613
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Sodium hydride | HCID 24758 | — |
| Reactant | Methyl 3-oxoheptanoate | HCID 546075 | — |
| Reactant | 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile | HCID 9991395 | — |
| Catalyst | Tetrabutylammonium Iodide | HCID 67553 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | Methyl 2-{[6-(2-cyanophenyl)pyridin-3-yl]methyl}-3-oxoheptanoate | HCID 67008908 | 12.9% |
Reaction Steps
To a mixture of 60% sodium hydride in oil (3.27 g) and tetrahydrofuran (50 mL) was added dropwise a mixture of methyl 3-oxoheptanoate (16.18 g) in tetrahydrofuran (50 mL) at 0° C., and the mixture was stirred at room temperature for 30 min. Then, 2-[5-(chloromethyl)pyridin-2-yl]benzonitrile (4.45 g) and tetrabutylammonium iodide (2.27 g) were added, and the mixture was stirred at room temperature overnight. The reaction mixture was poured into 1 M hydrochloric acid (70 mL), and the mixture was extracted with ethyl acetate. The ethyl acetate layer was washed with saturated brine, and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure, and the residue was purified by silica gel column chromatography to give the title compound as a yellow oil (0.88 g, 12%).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08592431B2 |
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| Source dataset | uspto-grants-2013_11 |
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| ORD ID | ord-c66987ca62404bd98a7fb1db4c4ce382 |
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| Source note | uspto-grants-2013_11 |
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