HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 573890Generated: October 31, 2026
HCID 90404328, compound → HCID 90404362, compound
https://huagongshe.com/reaction/573890
Participants
| Role | Name | HCID | Charge |
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| Reactant | HCID 90404328 | HCID 90404328 | — |
| Catalyst | Palladium | HCID 23938 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | HCID 90404362 | HCID 90404362 | 104% |
Reaction Steps
To 4-(4-(1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)but-3-yn-1-ol (C61) (0.376 g, 0.967 mmol) in a 100 mL round bottomed flask equipped with a stir bar and septa was added ethyl acetate (9.67 mL) followed by palladium on carbon (0.103 g, 0.0970 mmol). The reaction mixture was evacuated with vacuum and purged with hydrogen (balloon) (2×) and stirred at room temperature overnight. The reaction mixture was filtered through Celite®, washed with ethyl acetate and concentrated to provide the title compound as a white solid (0.363 g, 104%): 1H NMR (400 MHz, CDCl3) δ 8.65 (s, 1H), 8.15-8.08 (m, 2H), 7.94-7.88 (m, 2H), 7.80 (dd, J=8.2, 1.1 Hz, 2H), 7.34-7.28 (m, 2H), 3.74-3.66 (m, 2H), 3.66-3.60 (m, 1H), 2.72 (t, J=7.6 Hz, 2H), 1.81-1.71 (m, 2H), 1.69-1.60 (m, 2H); 19F NMR (376 MHz, CDCl3) δ −62.48; ESIMS m/z 362 ([M+H]+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09029560B2 |
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| Source dataset | uspto-grants-2015_05 |
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| ORD ID | ord-79e8e3cba6b64092a7fdf25e774e767d |
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| Source note | uspto-grants-2015_05 |
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