HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 63631Generated: October 30, 2026
4-Fluorothiophenol → 6-[(4-Fluorophenyl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-one
https://huagongshe.com/reaction/63631
Participants
| Role | Name | HCID | Charge |
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| Reactant | 4-Fluorothiophenol | HCID 67789 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | 5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl 4-methylbenzene-1-sulfonate | HCID 118597770 | — |
| Catalyst | 1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine) | HCID 636044 | — |
| Catalyst | Bis(dibenzylideneacetone)palladium | HCID 9811564 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | 6-[(4-Fluorophenyl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-one | HCID 118598193 | 77.8% |
Reaction Steps
To a solution of 5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl 4-methylbenzene-1-sulfonate (5.0 g, 17.0 mmol) in dioxane (75 mL) was added 4-fluorothiophenol (2.6 g, 20.4 mmol), Pd2(dba)3 (392 mg, 0.43 mmol), Xantphos (492 mg, 0.85 mmol) and DIEA (4.4 g, 34.0 mmol). The mixture was heated to reflux overnight under nitrogen. The mixture was filtered and concentrated. The residue was purified by silica gel chromatography (PE:EtOAc=20:1 to 5:1) to give 3.6 g (77%) of the title compound as an off-white solid. 1H NMR (400 MHz, CDCl3): δ 2.08-2.13 (m, 2H), 2.61 (t, J=6.4 Hz, 2H), 2.85 (t, J=6.0 Hz, 2H), 6.94 (br s, 1H), 6.98 (dd, J=8.4 Hz, 1.6 Hz, 1H), 7.10-7.14 (m, 2H), 7.49-7.53 (m, 2H), 7.88 (d, J=8.4 Hz, 1H). [M+H] Calc'd for C16H13FOS, 273. Found, 273.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09447046B2 |
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| Source dataset | uspto-grants-2016_09 |
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| ORD ID | ord-f1a26b0b3dad455e89cf6169f78d501d |
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| Source note | uspto-grants-2016_09 |
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