HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1096540Generated: October 30, 2026
HCID 66781900, compound → HCID 66782414, compound
https://huagongshe.com/reaction/1096540
Participants
| Role | Name | HCID | Charge |
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| Reactant | HCID 66781900 | HCID 66781900 | — |
| Solvent | Formic Acid | HCID 284 | — |
| Product | HCID 66782414 | HCID 66782414 | 34.9% |
Reaction Steps
A solution of crude 3-(3-Benzyl-ureido)-hex-5-enoic acid {2-(4-tert-butoxy-phenyl)-1-[(2,2-diethoxy-ethyl)-(1H-indazol-7-ylmethyl)-carbamoyl]-ethyl}-amide (3.60 g, 4.95 mmol) in formic acid (100 mL) was stirred at room temperature for 13 h. The solvent was removed under reduced pressure and then diluted with EtOAc, washed with water and brine. The organic layer was dried with Na2SO4 and concentrated in vacuo. The residue was purified by chromatography and recrystallized on ethyl acetate and hexane to give the 2-Allyl-6-(4-hydroxy-benzyl)-8-(1H-indazol-7-ylmethyl)-4,7-dioxo-hexahydro-pyrazino[1,2-a]pyrimidine-1-carboxylic acid benzylamide (1.0 g, 3 step yield: 30%). 1H NMR (CDCl3, 300 MHz) δ 8.20 (s, 1H), 7.4˜7.26 (m, 3H), 7.2 (d, J=7.01, 2H), 6.98 (t, J=8.0, 1H), 6.80 (m, 3H), 6.75 (t, J=7.0, 1H), 6.5 (d, J=8.76, 2H), 5.6 (m, 1H), 5.25 (t, J=4.7, 1H), 5.05 (d, J=10.75, 1H), 5.0 (d, J=18.54, 1H), 4.87 (d, J=14.51, 1H), 4.55 (m, 1H), 4.5˜4.25 (m, 4H), 3.5˜3.3 (m, 2H), 3.25˜3.1 (m, 2H), 2.6˜2.4 (m, 2H), 2.2 (t, J=7.2, 2H) MS ESI 579 (M+H), 601 (M+Na).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08138337B2 |
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| Source dataset | uspto-grants-2012_03 |
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| ORD ID | ord-d12ea1064e314005ad8fa5abe1b8cd9e |
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| Source note | uspto-grants-2012_03 |
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