HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 63087Generated: October 26, 2026
Water → 7-(2-cyclopropylethynyl)-3,4-dihydro-2H-1-benzopyran-4-one
https://huagongshe.com/reaction/63087
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | Cyclopropylacetylene | HCID 138823 | — |
| Reactant | 7-bromo-3,4-dihydro-2H-1-benzopyran-4-one | HCID 22335736 | — |
| Catalyst | Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI) | HCID 24350 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | 7-(2-cyclopropylethynyl)-3,4-dihydro-2H-1-benzopyran-4-one | HCID 86728215 | 88.3% |
Reaction Steps
To a solution of 7-bromochroman-4-one (2.0 g, 8.8 mmol) in DMF (10 mL) was added CuI (380 mg, 1.7 mmol), Pd(PPh3)Cl2 (540 mg, 0.8 mmol) and triethylamine (5 mL) under nitrogen at rt. The suspension was warmed to 100° C. and then cyclopropylacetylene (1.1 g, 17.6 mmol) was added dropwise. The mixture was stirred at 100° C. under nitrogen for 2 h. The reaction mixture was cooled to rt, poured into water, and extracted with EtOAc. Organics were separated and washed with brine, dried (Na2SO4), and concentrated. The residue was purified by silica gel chromatography to give 1.65 g (88%) of the title compound as a tan solid. 1H NMR (300 MHz, CDCl3): δ 0.83-0.93 (4H, m), 1.44-1.49 (1H, m), 2.79 (2H, t, J=6.6 Hz), 4.52 (2H, t, J=6.6 Hz), 6.96-7.00 (2H, m), 7.79 (1H, d, J=7.8 Hz). [M+H] calc'd for C14H12O, 213; found 213.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09447045B2 |
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| Source dataset | uspto-grants-2016_09 |
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| ORD ID | ord-92a41fbae0444846a8710469fb61aed5 |
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| Source note | uspto-grants-2016_09 |
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