HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1894035Generated: October 31, 2026
Tetrahydro-2-(2-propynyloxy)-2H-pyran → 2-Amino-5-[3-(tetrahydro-pyran-2-yloxy)-prop-1-ynyl]-4-trifluoromethyl-benzoic acid methyl ester
https://huagongshe.com/reaction/1894035
Participants
| Role | Name | HCID | Charge |
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| Reactant | Tetrahydro-2-(2-propynyloxy)-2H-pyran | HCID 98609 | — |
| Reactant | Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate | HCID 53436880 | — |
| Catalyst | Copper iodide | HCID 83717 | — |
| Catalyst | HCID 178419050 | HCID 178419050 | — |
| Solvent | Triethylamine | HCID 8471 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | 2-Amino-5-[3-(tetrahydro-pyran-2-yloxy)-prop-1-ynyl]-4-trifluoromethyl-benzoic acid methyl ester | HCID 59164421 | 72.4% |
Reaction Steps
A solution of 2-amino-5-iodo-4-trifluoromethyl-benzoic acid methyl ester (2.0 g, 5.80 mmol), tetrahydro-2-(2-propynyloxy)-2H-pyran (2.44 mL, 17.4 mmol), copper iodide (55.0 mg, 0.29 mmol) and bis(triphenylphosphine)palladium (II) dichloride (407 mg, 0.58 mmol) in dioxane (15 mL) and Et3N (15 mL) was heated to reflux for 16 h under nitrogen. The mixture was then allowed to cool to r.t., filtered and the filtrate was diluted with AcOEt. This mixture was washed once with water. The organic phase was then dried over anhydrous sodium sulfate, filtered and concentrated in vacuo. The crude product was purified by flash chromatography (silica gel 60, hexanes/EtOAc 5:1) to give an orange oil, which was recrystallized in hexanes to provide 2-amino-5-[3-(tetrahydro-pyran-2-yloxy)-prop-1-ynyl]-4-trifluoromethyl-benzoic acid methyl ester (1.50 g, 4.20 mmol, 72%) as a pale brown powder, m.p. 88° C., ESI-MS: m/z 358 [M+H]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08513268B2 |
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| Source dataset | uspto-grants-2013_08 |
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| ORD ID | ord-9d0f9c37dfa249ce8eb690687f3334df |
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| Source note | uspto-grants-2013_08 |
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