HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1750836Generated: October 25, 2026
Ethyl ketone → 3-(2-Bromo-5-methylphenyl)pentan-3-ol
https://huagongshe.com/reaction/1750836
Participants
| Role | Name | HCID | Charge |
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| Reactant | Ethyl ketone | HCID 7288 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | 4-Bromo-3-iodotoluene | HCID 16218088 | — |
| Reactant | HCID 178418365 | HCID 178418365 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 3-(2-Bromo-5-methylphenyl)pentan-3-ol | HCID 86685082 | 26.9% |
Reaction Steps
To a solution of 1-bromo-2-iodo-4-methylbenzene (28 g, 94 mmol) in THF (10 ml) at −10° C. under nitrogen was slowly added i-PrMgBr (47 ml, 94 mmol). The reaction mixture was stirred for 1 h at −10° C. Then the reaction mixture was cooled to −30° C., and pentan-3-one (8.1 g, 94 mmol) was added dropwise. The reaction mixture was stirred for 1 h at −30° C. under nitrogen and then warmed to rt and stirred for additional 2 h. Then the reaction mixture was quenched with 2N HCl solution and extracted with EA. The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated under reduced pressure. The residue was purified by column chromatography over silica gel eluted with PE:EA (10:0 to 5:1) to give the desired compound (6.5 g, yield 26.9%) as colorless oil. 1H NMR (300 MHz, CDCl3): δ 7.52-7.50 (d, 1H), 7.43-7.40 (d, 1H), 6.95-6.92 (d, 1H), 2.48-2.40 (q, 2H), 2.31 (s, 3H), 1.86-1.78 (q, 2H), 0.77-0.71 (m, 6H). MS: m/z=257 and 259 [M+1]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09156860B2 |
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| Source dataset | uspto-grants-2015_10 |
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| ORD ID | ord-56dd28386602464296fe2597dc5a7687 |
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| Source note | uspto-grants-2015_10 |
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