HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2059616Generated: October 31, 2026
1,3-Dimethoxy-2-fluoro-4-iodobenzene → 4-(3-Fluoro-2,4-dimethoxyphenylethynyl)-1-(4-methoxybenzyl)-1H-pyrazole
https://huagongshe.com/reaction/2059616
Participants
| Role | Name | HCID | Charge |
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| Reactant | 1,3-Dimethoxy-2-fluoro-4-iodobenzene | HCID 50998228 | — |
| Reactant | 4-Ethynyl-1-(4-methoxybenzyl)-1H-pyrazole | HCID 57421937 | — |
| Catalyst | HCID 178418476 | HCID 178418476 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Solvent | Triethylamine | HCID 8471 | — |
| Product | 4-(3-Fluoro-2,4-dimethoxyphenylethynyl)-1-(4-methoxybenzyl)-1H-pyrazole | HCID 57421949 | — |
Reaction Steps
To a stirred solution of 3-fluoro-2,4-dimethoxy-iodobenzene (200 mg, 0.71 mmol) and 4-ethynyl-1-(4-methoxy-benzyl)-1H-pyrazole (180 mg, 0.85 mmol) in dry MeCN (4 ml) and NEt3 (2 ml) was added Pd(Ph3P)2Cl2 (15 mg, 3 mol %) and the reaction vessel was evacuated and backfilled with N2 (g) three times. Copper (I) iodide (6 mol %) was added and the reaction rapidly became dark. Stirring was continued at room temperature for 3 hours, then the crude mixture was concentrated directly onto silica-gel and purified by flash chromatography (silica-gel, eluted sequentially with hexanes:EtOAc, 3:1, 2:1) to give the product as a resin that crystallised slowly upon standing in the freezer (230 mg, 89%). 1H-NMR (300 MHz, CDCl3) δ 7.66 (s, 1H), 7.50 (s, 1H), 7.19 (d, J=8.6 Hz, 2H), 7.10 (dd, J=8.7, 2.1 Hz, 1H), 6.87 (d, J=8.6 Hz, 2H), 6.61 (t, J=8.2 Hz, 1H), 5.24 (s, 2H), 4.01 (s, 3H), 3.87 (s, 3H), 3.79 (s, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08278290B2 |
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| Source dataset | uspto-grants-2012_10 |
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| ORD ID | ord-07036981785548ab80d5a553eab1bbe9 |
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| Source note | uspto-grants-2012_10 |
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