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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1096540Generated: October 30, 2026

HCID 66781900, compound → HCID 66782414, compound

https://huagongshe.com/reaction/1096540

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHCID 66781900HCID 66781900—
SolventFormic AcidHCID 284—
ProductHCID 66782414HCID 6678241434.9%

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08138337B2
Source datasetuspto-grants-2012_03
ORD IDord-d12ea1064e314005ad8fa5abe1b8cd9e
Source noteuspto-grants-2012_03