HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 349635Generated: October 30, 2026
Diisopropylethylamine → 1-(2-(4-(Benzo[d]thiazol-2-ylsulfonyl)-3-oxopiperazin-1-yl)-2-oxoethyl)-5-methylpyrimidine-2,4(1H,3H)-dione
https://huagongshe.com/reaction/349635
Participants
| Role | Name | HCID | Charge |
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| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid | HCID 853753 | — |
| Reactant | PyBOP | HCID 2724699 | — |
| Reactant | 1-(Benzothiazole-2-sulfonyl)-piperazin-2-one trifluoroacetic acid salt | HCID 68523551 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | 1-(2-(4-(Benzo[d]thiazol-2-ylsulfonyl)-3-oxopiperazin-1-yl)-2-oxoethyl)-5-methylpyrimidine-2,4(1H,3H)-dione | HCID 11271206 | — |
Reaction Steps
To the mixture of 1-(benzothiazole-2-sulfonyl)-piperazin-2-one trifluoroacetic acid salt (0.83 g, 2.5 mmol), (thymin-1-yl)-acetic acid (0.46 g, 2.5 mmol), and PyBOP (1.43 g, 2.75 mmol) in DMF (12 mL) was added diisopropylethylamine (0.61 ml, 3.75 mmol) at ambient temperature. The resulting reaction mixture was stirred for 4 h at the same temperature and the solvent was removed in vacuo. The residue was dissolved in dichloromethane (20 mL) and the solution was washed with water, saturated sodium bicarbonate solution, 1N HCl solution, and saline. The resulting solution was dried over magnesium sulfate and filtered. The filtrate was evaporated in vacuo. The resulting residue was recrystallized in dichloromethane-ethyl ether to afford the title compound. 1H NMR (500 MHz; DMSO-d6) δ 11.30 (d, 1H), 8.34 (d, 1H), 8.26 (m, 1H), 7.71 (m, 2H), 7.34 (s, 0.6H), 7.27 (s, 0.4H), 4.67 (s, 1.2H), 4.57 (s, 0.8H), 4.42 (s, 0.8H), 4.27 (s, 1.2H), 4.21 (t, 1.2H), 4.07 (t, 0.8H), 3.95 (t, 1.2H), 3.85 (t, 0.8H), 1.74 (s, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07179896B2 |
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| Source dataset | uspto-grants-2007_02 |
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| ORD ID | ord-4daa5b43516d47a2a6e89e6a34a47127 |
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| Source note | uspto-grants-2007_02 |
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