HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1892809Generated: October 30, 2026
Triphenylphosphine → (+/-)-4-{1-[3,5-Difluoro-4-(4-trifluoromethyl-pyrazol-1-yl)-phenoxy]-butyl}-benzoic acid ethyl ester
https://huagongshe.com/reaction/1892809
Participants
| Role | Name | HCID | Charge |
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| Reactant | Triphenylphosphine | HCID 11776 | — |
| Reactant | Ethyl 4-(1-hydroxybutyl)benzoate | HCID 67981039 | — |
| Reactant | 3,5-Difluoro-4-(4-trifluoromethyl-pyrazol-1-yl)-phenol | HCID 68157324 | — |
| Reactant | Diazopropyl azodicarboxylate | HCID 86669100 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | (+/-)-4-{1-[3,5-Difluoro-4-(4-trifluoromethyl-pyrazol-1-yl)-phenoxy]-butyl}-benzoic acid ethyl ester | HCID 68178668 | 100.7% |
Reaction Steps
3,5-Difluoro-4-(4-trifluoromethyl-pyrazol-1-yl)-phenol (230 mg, 0.871 mmol) was combined with ethyl 4-(1-hydroxybutyl)benzoate (see Intermediate 5) (194 mg, 0.871 mmol) and dissolved in anhydrous tetrahydrofuran (4 mL). Triphenylphosphine (457 mg, 1.74 mmol) was added followed by diazopropyl azodicarboxylate (0.451 mL, 2.18 mmol). This was stirred at room temperature as a yellow solution. At 17 h, the reaction was concentrated. Purification by silica gel flash chromatography (ethyl acetate in heptane) gave impure (+/−)-4-{1-[3,5-difluoro-4-(4-trifluoromethyl-pyrazol-1-yl)-phenoxy]-butyl}-benzoic acid ethyl ester (0.411 g) as a clear oil. 1H NMR (400 MHz, CDCl3, δ): 8.06 (d, J=8.2 Hz, 2H) 7.93 (s, 1H) 7.82 (s, 1H) 7.39 (d, J=8.4 Hz, 2H) 6.54 (d, J=9.4 Hz, 2H) 5.15 (dd, J=7.6, 5.3 Hz, 1H) 4.39 (q, J=7.2 Hz, 2H) 1.96-2.10 (m, 1H) 1.77-1.91 (m, 1H) 1.19-1.61 (m, 5H) 0.98 (t, J=7.3 Hz, 3H); MS (M+1): 469.3.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08507533B2 |
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| Source dataset | uspto-grants-2013_08 |
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| ORD ID | ord-b48c2ea1be4e40ffb5b50a818935b2bc |
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| Source note | uspto-grants-2013_08 |
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