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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 456327Generated: October 30, 2026

Pivalaldehyde → HCID 59189493, compound

https://huagongshe.com/reaction/456327

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPivalaldehydeHCID 12417—
Reactant1,4-Diiodo-2-nitrobenzeneHCID 11187994—
ReactantHCID 178478979HCID 178478979—
SolventTetrahydrofuranHCID 8028—
ProductHCID 59189493HCID 5918949381%

Reaction Steps

Under a nitrogen atmosphere a solution of 1,4-diiodo-2-nitrobenzene (3.0 g, 8.0 mmol) in anhydrous THF (20 mL) was cooled to minus 40° C., and then a solution of phenylmagnesium chloride (2 M in THF, 4.8 mL, 9.6 mmol) was added dropwise at a rate that the temperature would not exceed minus 35° C. Upon completion of the addition the mixture was stirred for ten minutes, followed by addition of trimethylacetaldehyde (1.2 mL, 11.2 mmol), and the mixture was stirred for 30 minutes at minus 40° C. The mixture was gradually warmed up to room temperature, quenched with saturated ammonium chloride (60 mL), poured into water (120 mL), and extracted with ethyl acetate twice (60 mL each). The combined organic phase was washed with water (60 mL), dried over Na2SO4, and concentrated in vacuo. The residue was purified by silica gel column chromatography to yield racemic (RS)-1-(4-iodo-2-nitrophenyl)-2,2-dimethyl-1-propanol (2.17 g, 81%) as a brown oil. 1H NMR (400 MHz, CDCl3): δ 8.04 (d, 1 H, J=1.6 Hz, Ph-H), 7.88 (dd, 1 H, J=1.6 and 8.4 Hz, Ph-H), 7.51 (d, 1 H, J=8.4 Hz, Ph-H), 5.28 (d, 1 H, J=3.6 Hz, Ph-CH), 2.29 (d, 1 H, J=3.6 Hz, OH), 0.85 (s, 9 H, C(CH3)3). 13C NMR (100 MHz, CDCl3): δ 149.87 (C), 141.0 (CH), 136.2 (C), 132.3 (CH), 131.63 (CH), 91.85 (C), 74.33 (CH), 36.81 (C), 25.6 (CH3).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08497360B2
Source datasetuspto-grants-2013_07
ORD IDord-1970d5310e4a4ff089fbf375fa09df74
Source noteuspto-grants-2013_07