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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 393339Generated: October 27, 2026

Water → 5,5-Dimethyl-3-formyl-hexanoic acid methyl ester

https://huagongshe.com/reaction/393339

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantDiisobutylamineHCID 8085—
ReactantMethyl bromoacetateHCID 60984—
Reactant4,4-DimethylpentanalHCID 11062343—
SolventTolueneHCID 1140—
Product5,5-Dimethyl-3-formyl-hexanoic acid methyl esterHCID 23531079—

Reaction Steps

In a three necked flask fitted with a Dean-Stark apparatus under argon, a solution of diisobutylamine (4.62 ml from Acros), 4,4-dimethyl pentanal 362 (2.5 g, 0.021 mol.) in toluene (20 ml) is heated at 130° C. for 2 h and water is extracted. The yellow solution is cooled down to room temperature and methyl bromoacetate (3.7 g, 0.024 mol.) is added in one time. The pink solution is stirred at room temperature overnight and 1 h at 90° C. Water (10 ml) is added at this temperature and after 1 h, the solution is cooled down to room temperature. The organic layer is washed with HCl 1N, saturated aqueous sodium bicarbonate, dried over magnesium sulfate, filtered and evaporated to afford an oil which is distilled under reduced pressure (1 mmHg) to afford 5,5-dimethyl-3-formyl-hexanoic acid methyl ester 361 as a liquid (1.1 g, 0.05 mol, Teb (1 mmHg): 69-71° C.). The aldehyde esters are then used in the reductive amination step. Alternatively, alkylation with ethyl bromoacetate can be conducted in the presence of toluene-acetonitrile 1/1 (v/v) as solvent. The final aldehyde can also be distilled under reduced pressure.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06806287B2
Source datasetuspto-grants-2004_10
ORD IDord-1cec2947bcff458e930f36cd5e132c1f
Source noteuspto-grants-2004_10