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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

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTriphenylphosphineHCID 11776—
ReactantEthyl 4-(1-hydroxybutyl)benzoateHCID 67981039—
Reactant3,5-Difluoro-4-(4-trifluoromethyl-pyrazol-1-yl)-phenolHCID 68157324—
ReactantDiazopropyl azodicarboxylateHCID 86669100—
SolventTetrahydrofuranHCID 8028—
Product(+/-)-4-{1-[3,5-Difluoro-4-(4-trifluoromethyl-pyrazol-1-yl)-phenoxy]-butyl}-benzoic acid ethyl esterHCID 68178668100.7%

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08507533B2
Source datasetuspto-grants-2013_08
ORD IDord-b48c2ea1be4e40ffb5b50a818935b2bc
Source noteuspto-grants-2013_08