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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 57122Generated: October 30, 2026

Methanol → HCID 23650960, compound

https://huagongshe.com/reaction/57122

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethanolHCID 887—
Reactant4-Fluoro-3-methylbenzene-1,2-diamineHCID 22055547—
Reactant[5-(5-Fluoro-4-methyl-1H-benzoimidazol-2-yl)-pyrimidin-2-yl]-[3-(1-methyl-piperidin-4-yl)-propyl]-amineHCID 24804053—
Reactant4-Methyl-2-((3-(1-methylpiperidin-4-yl)propyl)amino)pyrimidine-5-carbaldehydeHCID 46221560—
CatalystManganese dioxideHCID 14801—
SolventTolueneHCID 1140—
ProductHCID 23650960HCID 23650960—

Reaction Steps

[5-(5-Fluoro-4-methyl-1H-benzoimidazol-2-yl)-pyrimidin-2-yl]-[3-(1-methyl-piperidin-4-yl)-propyl]-amine. To a mixture of 4-methyl-2-[3-(1-methyl-piperidin-4-yl)-propylamino]-pyrimidin-5-yl}-methanol (0.14 g, 0.49 mmol) in toluene (3 mL) was added MnO2 (0.22 g, 2.48 mmol). After 30 min at 70° C., the mixture was filtered through diatomaceous earth. The filtrate was concentrated and immediately dissolved in DMF. A portion of this solution (corresponding to 0.05 g, 0.17 mmol of 4-methyl-2-[3-(1-methyl-piperidin-4-yl)-propylamino]-pyrimidine-5-carbaldehyde) was then treated with 4-fluoro-3-methyl-benzene-1,2-diamine (1.1 equiv.) and Na2H2S2O5 (1.25 equiv.) at 90° C. for 12 h. The reaction mixture was purified by FCC to afford the title compound. MS: mass calcd. for C22H29FN6, 396.24; m/z found, 397.2 [M+H]+. 1H NMR (CD3OD): 8.62 (s, 1H), 7.55 (dd, J=8.0, 3.9 Hz, 1H), 7.17 (dd, J=10.3, 8.8 Hz, 1H), 3.60 (t, J=6.9 Hz, 2H), 3.10-2.99 (m, 2H), 2.71 (s, 3H), 2.66 (d, J=1.4 Hz, 3H), 2.44 (s, 3H), 2.26-2.17 (m, 2H), 1.98-1.88 (m, 2H), 1.87-1.77 (m, 2H), 1.55-1.36 (m, 5H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09434715B2
Source datasetuspto-grants-2016_09
ORD IDord-ef5991f616f8450795953d3bda06effa
Source noteuspto-grants-2016_09