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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1669089Generated: October 31, 2026

3-(7-Methyl-1-oxido-7,8-dihydro-6h-indeno[5,6-e][1,2,4]triazin-3-yl)propanal → HCID 11952185, compound

https://huagongshe.com/reaction/1669089

Reaction equation

Participants

RoleNameHCIDCharge
Reactant3-(7-Methyl-1-oxido-7,8-dihydro-6h-indeno[5,6-e][1,2,4]triazin-3-yl)propanalHCID 11952184—
ReactantEthylacetate methanolHCID 21584119—
Reactant7,8-Dihydro-6H-indeno[5,6-e][1,2,4]triazin-3-amine 1,4-DioxideHCID 135526537—
ProductHCID 11952185HCID 11952185—

Reaction Steps

Morpholine (0.64 mL, 7.3 mmol) was added to a solution of aldehyde 101 (0.47 g, 1.8 mmol) in EtOH (20 mL) at 0° C. and the solution stirred for 30 min. NaCNBH3 (0.35 g, 5.5 mmol) was added and the mixture stirred at 0° C. for 30 min, then HOAc (0.5 mL) was added and the mixture stirred at 20° C. for 30 min. The solvent was evaporated and the residue partitioned between DCM and water, the organic phase was dried, the solvent evaporated and the residue purified by chromatography, eluting with a gradient (0-10%) of MeOH/EtOAc, to give (i) starting material 101 (83 mg, 17%) and (ii) alcohol 103 (134 mg, 28%) as a white solid: mp (MeOH/EtOAc) 70-71° C.; 1H NMR δ 8.21 (s, 1H, H-9), 7.71 (s, 1H, H-5), 3.78 (t, J=6.1 Hz, 2H, CH2O), 3.20-3.28 (m, 2H, CH2), 3.15 (t, J=7.2 Hz, 2H, CH2), 2.64-2.78 (m, 3H, H-7, CH2), 2.35 (br s, 1H, OH), 2.12-2.19 (m, 2H, CH2), 1.19 (d, J=6.4 Hz, 3H, CH3); 13C NMR δ 165.7, 154.6, 148.7, 147.3, 132.3, 122.6, 114.4, 62.1, 41.2, 40.9, 35.0, 30.6, 24.7, 20.2. Anal. calcd for C14H17N3O2.¼H2O: C, 63.7; H, 6.7; N, 15.9. Found: C, 63.7; H, 6.6; N, 15.9%; and (iii) 1-oxide 102 (331 mg, 55%) as a yellow gum: 1H NMR δ 8.22 (s, 1H, H-9), 7.70 (s, 1H, H-5), 3.60 (br t, J=4.7 Hz, 4H, 2×CH2O), 3.21-3.28 (m, 2H, CH2), 3.05 (br t, J=7.4 Hz, 2H, CH2), 2.65-2.77 (m, 3H, H-7, CH2), 2.47-2.54 (m, 6H, 3×CH2N), 2.11 (p, J=7.3 Hz, 2H, CH2), 1.19 (d, J=6.4 Hz, 3H, CH3); 13C NMR δ 165.7, 154.4, 148.5, 147.5, 132.3, 122.7, 114.4, 66.7 (2), 55.1, 53.5 (2), 41.2, 40.9, 35.2, 35.0, 24.7, 20.2; MS (FAB+) m/z 392 (MH+, 100%), 311 (20); HRMS (FAB+) calcd for C18H25N4O2 (MH+) m/z 329.1978, found 329.1978.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07989451B2
Source datasetuspto-grants-2011_08
ORD IDord-48f0570647de47b9a8da8881e2ceab45
Source noteuspto-grants-2011_08