HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1922062Generated: October 26, 2026
tert-Butanol → 3-Oxo-2-(4-pyrazol-1-ylbenzyl)pentanoic acid ethyl ester
https://huagongshe.com/reaction/1922062
Participants
| Role | Name | HCID | Charge |
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| Reactant | tert-Butanol | HCID 6386 | — |
| Reactant | Ethyl 3-oxovalerate | HCID 78656 | — |
| Reactant | 1-[4-(Bromomethyl)Phenyl]-1H-Pyrazole | HCID 2776479 | — |
| Reactant | Potassium tert-butoxide | HCID 23665647 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 3-Oxo-2-(4-pyrazol-1-ylbenzyl)pentanoic acid ethyl ester | HCID 67456360 | — |
Reaction Steps
A suspension of potassium tert-butoxide (0.57 g) in tetrahydrofuran (40 mL) at 0° C. was treated with a mixture of tert-butanol (2.0 mL) and 3-oxopentanoic acid ethyl ester (0.73 mL), and the resulting mixture was stirred at 0° C. for 45 minutes. The mixture was then treated with a solution of 1-(4-bromomethylphenyl)-1H-pyrazole (1.0 g) in tetrahydrofuran (10 mL), and stirred at 0° C. for 2 hours. The mixture was diluted with water, concentrated to low bulk under reduced pressure, and the residue extracted with ethyl acetate. The combined extracts were washed with saturated aqueous sodium chloride solution, dried over magnesium sulfate and then concentrated under reduced pressure. Purification of the residue by column chromatography on silica gel, eluting with a mixture of cyclohexane and ethyl acetate gave title compound as a pale yellow oil (0.63 g).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08173812B2 |
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| Source dataset | uspto-grants-2012_05 |
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| ORD ID | ord-17822fd00a5d4eccad77e6b59ca27202 |
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| Source note | uspto-grants-2012_05 |
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