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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1096551Generated: October 29, 2026

HCID 66782407, compound → HCID 66782284, compound

https://huagongshe.com/reaction/1096551

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHCID 66782407HCID 66782407—
SolventFormic AcidHCID 284—
ProductHCID 66782284HCID 6678228437.2%

Reaction Steps

A solution of crude N-[1-[Benzothiazol-4-ylmethyl-(2,2-diethoxy-ethyl)-carbamoyl]-2-(4-tert-butoxy-phenyl)-ethyl]-3-(3-benzyl-ureido)-butyramide (3.55 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 8-Benzothiazol-4-ylmethyl-6-(4-hydroxy-benzyl)-2-methyl-4,7-dioxo-hexahydro-pyrazino[1,2-a]pyrimidine-1-carboxylic acid benzylamide (1.05 g, 3 step yield: 32%). 1H NMR (CDCl3, 300 MHz) δ 9.25 (s, 1H), 7.4˜7.26 (m, 3H), 7.2 (d, J=7.01, 2H), 6.98 (t, J=8.0, 1H), 6.85 (m, 3H), 6.8 (t, J=7.0, 1H), 6.5 (d, J=8.76, 2H), 5.6 (m, 1H), 5.25 (t, J=4.7, 1H), 4.55 (m, 1H), 4.5˜4.25 (m, 4H), 3.5˜3.3 (m, 2H), 3.25˜3.1 (m, 2H), 2.2 (t, J=7.2, 2H) 1.45 (m, 3H) MS ESI 570 (M+H), 592 (M+Na).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08138337B2
Source datasetuspto-grants-2012_03
ORD IDord-aa9f9f67ccab40a0ac40ab4f85b8f9a4
Source noteuspto-grants-2012_03