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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1896127Generated: November 2, 2026

Hydrochloric Acid → HCID 49764671, compound

https://huagongshe.com/reaction/1896127

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantSodium NitriteHCID 23668193—
Reactant9-Amino-3-benzyl-2,3,4,4a,5,6-hexahydrobenzo[f]pyrazino[1,2-a][1,4]diazepin-7(1h)-oneHCID 66770200—
SolventWaterHCID 962—
SolventPhosphinic AcidHCID 4124402—
ProductHCID 49764671HCID 49764671—

Reaction Steps

A solution of sodium nitrite (0.033 g, 0.478 mmol) in water (2.171 mL) was added to an ice bath chilled solution of Example 45H (0.14 g, 0.434 mmol) in hypophosphorous acid, solution in water (9.03 mL, 87 mmol, 9.63 M) and HCl (2.140 mL, 26.1 mmol, 12.2 M). A sample was taken out after 10 minutes, quenched with 1 M NaOH (aqueous), and the reaction was determined to be complete by LC/MS. The reaction mixture was allowed to reach room temperature and was poured into 100 mL 1 M NaOH (aqueous). Additional 1 M NaOH (aqueous) was added until the pH=14. The product was extracted with dichloromethane three times, dried over sodium sulfate, and the solvent was evaporated. The residue was then purified by reverse phase HPLC to afford the title compound. 1H NMR (400 MHz, DMSO-d6) δ ppm 10.03 (s, 1H), 8.19 (t, J=5.8, 1H), 7.61-7.50 (m, 5H), 7.50-7.39 (m, 2H), 7.11 (t, J=7.3, 1H), 7.04 (d, J=7.9, 1H), 4.47 (s, 2H), 3.37-3.10 (m, 6H), 3.02 (dd, J=6.5, 14.9, 1H); MS (ESI+) m/z 308.0 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08518933B2
Source datasetuspto-grants-2013_08
ORD IDord-74c5a2690eea4cc1ac2d31317696873b
Source noteuspto-grants-2013_08