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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 906531Generated: October 30, 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/906531

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTetrahydro-2-(2-propynyloxy)-2H-pyranHCID 98609—
ReactantMethyl 2-amino-5-iodo-4-(trifluoromethyl)benzoateHCID 53436880—
CatalystCopper iodideHCID 83717—
CatalystHCID 178419050HCID 178419050—
SolventTriethylamineHCID 8471—
Solvent1,4-DioxaneHCID 31275—
Product2-Amino-5-[3-(tetrahydro-pyran-2-yloxy)-prop-1-ynyl]-4-trifluoromethyl-benzoic acid methyl esterHCID 5916442172.4%

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08012988B2
Source datasetuspto-grants-2011_09
ORD IDord-366c08099fce43338919007b10d3404c
Source noteuspto-grants-2011_09