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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1960872Generated: October 31, 2026

Diisobutylaluminum hydride → HCID 22060456, compound

https://huagongshe.com/reaction/1960872

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiisobutylaluminum hydrideHCID 14487—
ReactantHCID 178471260HCID 178471260—
SolventDichloromethaneHCID 6344—
ProductHCID 22060456HCID 22060456—

Reaction Steps

2-Chloro-5-fluoro-N4-[4-[ethoxycarbonyl(dimethyl)methyl]phenyl]-N2-(3,4-ethylenedioxyphenyl)-2,4-pyrimidinediamine was reduced with 10 eq. DIBALH (1.0 M in toluene) at 0° C. in dichloromethane. Reaction was quenched with methanol, diluted with ethylacetate followed by the addition of aqueous Rochelle's salt solution, stirred at room temperature for 30 minutes followed by the addition of anhydrous sodium sulfate. The solution was filtered through Celite, concentrated and purified the concentrated by silica gel column chromatography to furnish the N2-(3,4-ethylenedioxyphenyl)-N4-[4-(2-hydroxy-1,1-dimethylethyl)phenyl]-5-fluoro-2,4-pyrimidinediamine. 1H NMR (DMSO-d6): δ 10.01 (br s, 1H), 9.6 (br s, 1H), 8.13 (d, 1H, J=4.7 Hz), 7.58 (d, 2H, J=8.2 Hz), 7.31 (d, 2H, J=8.8 Hz), 7.18 (d, 1H, J=2.3 Hz), 6.88 (dd, 1H, J=2.3 and 8.8 Hz), 6.73 (d, 1H, J=8.8 Hz), 4.21-4.19 (m, 4H), 3.56 (br s, 2H), 1.20 (s, 6H); LCMS: ret. time: 20.34 min.; purity: 98%; MS (m/e): 411 (MH+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08410266B2
Source datasetuspto-grants-2013_04
ORD IDord-98a7ea7708534cb3973872081adc88f6
Source noteuspto-grants-2013_04