HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 734436Generated: October 30, 2026
Hydrogen Sulfide → 2-{6-[3-(Tert-butyl-dimethyl-silanyloxy)-propoxy]-pyridin-3-yl}-4,5,6,7-tetrahydro-benzothiazole
https://huagongshe.com/reaction/734436
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrogen Sulfide | HCID 402 | — |
| Reactant | Diethylamine | HCID 8021 | — |
| Reactant | 2-Chlorocyclohexanone | HCID 13203 | — |
| Reactant | 6-[3-(Tert-butyl-dimethyl-silanyloxy)-propoxy]-nicotinonitrile | HCID 57845431 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Solvent | Dioxane toluene | HCID 21840791 | — |
| Product | 2-{6-[3-(Tert-butyl-dimethyl-silanyloxy)-propoxy]-pyridin-3-yl}-4,5,6,7-tetrahydro-benzothiazole | HCID 57845391 | 18% |
Reaction Steps
H2S gas was passed slowly through a solution of 6-[3-(tert-butyl-dimethyl-silanyloxy)-propoxy]-nicotinonitrile (Example 76, 1.14 g, 3.90 mmol) in DMF (25.0 mL) at rt for 30 minutes. Diethylamine (0.60 mL, 5.85 mmol) was added in one portion, and the resultant light green solution was heated at 60° C. for 4 h. The reaction mixture was purged with a stream of argon, and concentrated under reduced pressure. The crude product was filtered through a short pad of silica gel and eluted with EtOAc. The solvent was removed under reduced pressure. The residue was treated with a solution of 2-chlorocyclohexanone (0.244 g, 1.80 mmol) in 10 mL 1:1 toluene/dioxane. The flask was connected to a Dean-Stark apparatus and heated at 150° C. for 18 h. The reaction mixture was concentrated under reduced pressure, the residue washed with water, and extracted with ethyl acetate. The combined organic extracts were dried over Na2SO4, filtered, and concentrated under reduced pressure. The crude material was purified by silica gel flash chromatography (15% EtOAc in hexanes) to give the title compound (0.29 g, 18%). 1H NMR (400 MHz, CDCl3) δ 8.58 (dd, 1H), 8.02 (dd, 1H), 6.65 (dd, 1H), 4.36 (t, 2H), 3.75 (t, 2H), 2.70-2.82 (m, 4H), 1.90-1.98 (m, 2H), 1.80-1.90 (m, 4H), 0.82 (s, 9H), 0.02 (s, 6H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07592361B2 |
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| Source dataset | uspto-grants-2009_09 |
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| ORD ID | ord-b275c7e98d904cc294653d870e557df7 |
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| Source note | uspto-grants-2009_09 |
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