HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 339203Generated: October 30, 2026
Isobutyraldehyde → (R/S)-1-(2,6-dinitrophenyl)-2-methyl-1-propanol
https://huagongshe.com/reaction/339203
Participants
| Role | Name | HCID | Charge |
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| Reactant | Isobutyraldehyde | HCID 6561 | — |
| Reactant | 2-Iodo-1,3-dinitrobenzene | HCID 14571184 | — |
| Reactant | HCID 178418255 | HCID 178418255 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | (R/S)-1-(2,6-dinitrophenyl)-2-methyl-1-propanol | HCID 59189411 | 30% |
Reaction Steps
To a solution of 1-iodo-2,6-dinitrobenzene (Smith and Ho, 1990), which is incorporated herein by reference) (1.55 g, 5.27 mmol) in anhydrous THF (18 mL) at minus 50° C. under a nitrogen atmosphere, phenylmagnesium bromide (2 M in THF, 3.2 mL, 6.4 mmol) was added dropwise at a rate such that the temperature would not exceed minus 45° C. Upon completion of the addition, the mixture was stirred at minus 50° C. for five min, followed by addition of isobutyraldehyde (0.96 mL, 11 mmol). The mixture was gradually warmed up to room temperature, quenched with saturated NH4Cl solution (10 mL), and then diluted with water (50 mL). The mixture was extracted with CH2Cl2 (100 mL) three times. The combined organic phase was washed with brine (50 mL), dried over Na2SO4, concentrated in vacuo, and the residue was purified by silica gel column chromatography to yield (R/S)-1-(2,6-dinitrophenyl)-2-methyl-1-propanol (0.375 g, 30%) as a yellow oil. 1H NMR (400 MHz, CDCl3): δ 7.82 (d, 2H, J=8.0 Hz, Ph-H), 7.59 (t, 1H, J=8.0 Hz, Ph-H), 4.83 (dd, 1H, J=9.2 and 7.6 Hz, Ph-CH), 2.87 (d, 1H, J=7.6 Hz, OH), 2.19 (m, 1H, CH), 1.12 (d, 3H, J=6.4 Hz, CH3), 0.76 (d, 3H, J=6.8 Hz, CH3).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08889860B2 |
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| Source dataset | uspto-grants-2014_11 |
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| ORD ID | ord-00305ac43aeb456993841d72051328a3 |
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| Source note | uspto-grants-2014_11 |
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