HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1091679Generated: October 27, 2026
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione → 2-[Benzothiazol-2(3H)-ylidene]-2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetonitrile
https://huagongshe.com/reaction/1091679
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione | HCID 89830 | — |
| Reactant | Sodium ethoxide | HCID 2723922 | — |
| Reactant | 2-[benzothiazol-2(3H)-ylidene]-2-cyanoacetamidine | HCID 136381425 | — |
| Solvent | Dimethyl Sulfoxide | HCID 679 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | 2-[Benzothiazol-2(3H)-ylidene]-2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetonitrile | HCID 66593371 | — |
Reaction Steps
2-[Benzothiazol-2(3H)-ylidene]-2-cyanoacetamidine (0.2 g, 0.92 mmol) was dissolved in dimethylsulfoxide (1 mL), and 1,1,1-trifluoro-5,5,-dimethyl-2,4-hexanedione (320 μL, 1.84 mmol) and sodium ethoxide (0.6 mL of 21 wt % solution in ethanol, 1.84 mmol) were added. The solution was heated to 180° C. under microwave irradiation for 20 min, dissolved in EA, and washed with 1N hydrochloric acid and then water. Removal of the solvent gave 2-[benzothiazol-2(3H)-ylidene]-2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetonitrile as a beige solid.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08129396B2 |
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| Source dataset | uspto-grants-2012_03 |
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| ORD ID | ord-b98b75ea0af643d68097ea05af594a11 |
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| Source note | uspto-grants-2012_03 |
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