HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 559058Generated: October 31, 2026
Potassium tert-butoxide → HCID 57687394, compound
https://huagongshe.com/reaction/559058
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Potassium tert-butoxide | HCID 23665647 | — |
| Reactant | HCID 178471891 | HCID 178471891 | — |
| Solvent | Dioxane tetrahydrofuran | HCID 22018518 | — |
| Product | HCID 57687394 | HCID 57687394 | 83.9% |
Reaction Steps
Potassium tert-butoxide (2.36 g, 21 mmol) was slowly added to a stirred solution of example 1b (6.62 g, 20 mmol) in 1:1 THF/dioxane (60 mL) at 0° C. The reaction mixture was stirred at 0° C. for 5 h. The precipitate was collected by filtration to give 5.22 g (79%) of clean desired product as a beige solid. The filtrate contained product contaminated with some starting material and was concentrated in vacuo. The residue (1.3 g) was treated by potassium tert-butoxide (350 mg, 3.12 mmol) in 1:1 THF/dioxane (60 mL) for 18 h. Purification by silica gel chromatography gave an additional 1.1 g (18%) of the title compound as a beige solid. 1H NMR (400 MHz, DMSO-d6): δ 8.41 (s, 1H), 8.09-8.19 (m, 1H), 4.21 (q, 211, J=7.2 Hz), 3.88-3.97 (m, 1H), 1.27 (t, 3H, J=7.2 Hz), 1.08-1.14 (m, 4H). MS (ES) [m+H] calc'd for C15H12F3NO3, 312; found 312.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08063066B2 |
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| Source dataset | uspto-grants-2011_11 |
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| ORD ID | ord-6a3240a8816845f7b959ef46e2519a5e |
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| Source note | uspto-grants-2011_11 |
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