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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 528340Generated: October 28, 2026

Diisobutylaluminum hydride → HCID 22060456, compound

https://huagongshe.com/reaction/528340

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 numberUS09346765B2
Source datasetuspto-grants-2016_05
ORD IDord-a0e9c868196e4e3a8a7f8f6722450a7f
Source noteuspto-grants-2016_05