HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 449202Generated: October 25, 2026
Cesium carbonate → [7-(2-Chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-[3-(4-methyl-piperazine-1-sulfonyl)-phenyl]-amine
https://huagongshe.com/reaction/449202
Participants
| Role | Name | HCID | Charge |
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| Reactant | Cesium carbonate | HCID 10796 | — |
| Reactant | 1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine) | HCID 636044 | — |
| Reactant | 7-(2-Chloro-5-methoxyphenyl)-5-methylbenzo[e][1,2,4]triazin-3-amine | HCID 24822753 | — |
| Reactant | 1-(3-Bromobenzenesulfonyl)-4-methylpiperazine | HCID 29402114 | — |
| Catalyst | Bis(dibenzylideneacetone)palladium | HCID 9811564 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | [7-(2-Chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-[3-(4-methyl-piperazine-1-sulfonyl)-phenyl]-amine | HCID 59837628 | — |
Reaction Steps
7-(2-chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamine (0.315 mmol, 1.0 equiv), 1-(3-bromo-benzenesulfonyl)-4-methyl-piperazine (0.472 mmol, 1.5 equiv), Pd2(dba)3 (0.0315 mmol, 0.1 equiv), Cs2CO3 (0.945 mmol, 3.0 equiv), and Xantphos (0.063 mmol, 0.2 equiv) were dissolved in 10 mL of dioxane, purged of air and placed under an argon atmosphere to reflux at 100° C. for 18 h. The reaction was cooled to room temperature and filtered to remove excess Cs2CO3. The filtrate was extracted with EtOAc and washed with saturated NaHCO3 and brine, and the organics were dried (Na2SO4). The organics were removed under reduced pressure to afford brown residue which was precipitated using DCM/Et2O (1:5 v/v) to give [7-(2-chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-[3-(4-methyl-piperazine-1-sulfonyl)-phenyl]-amine, as a yellow solid (45 mg, 27% yield). 1H NMR (DMSO-d6): δ 2.12 (s, 3H), 2.37 (m, 4H), 2.71 (s, 3H), 2.95 (m, 4H), 3.83 (s, 3H), 7.06 (dd, J=8.9 Hz, J=3.1 Hz, 1H), 7.14 (d, J=3.1 Hz, 1H), 7.41 (dd, J=6.3 Hz, J=1.1 Hz, 1H), 7.54 (d, J=8.7 Hz, 1H), 7.67 (t, J=8.1 Hz, 2H), 8.06 (dd, J=7.6 Hz, J=1.6 Hz, 1H), 8.27 (d, J=1.9 Hz, 1H), 8.9 (bs, 1H). MS (ES+): m/z=540 LC retention time 2.70 min.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08481536B2 |
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| Source dataset | uspto-grants-2013_07 |
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| ORD ID | ord-95f4e630f853493ebe20609b5ae2ae87 |
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| Source note | uspto-grants-2013_07 |
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