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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2177985Generated: October 30, 2026

Hydrochloric Acid → Hydrochloric Acid

https://huagongshe.com/reaction/2177985

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantUreaHCID 1176—
Reactant3-Ethoxy-4-hydroxy-5-nitrobenzaldehydeHCID 584878—
ReactantHCID 61056239HCID 61056239—
SolventEthanolHCID 702—
ProductHydrochloric AcidHCID 3136%
ProductHCID 56961515HCID 56961515—

Reaction Steps

A mixture of 1-(pyridin-4-yl)-2-(thiophen-3-yl)ethanone (Intermediate 70) (180 mg, 0.89 mmol), 3-ethoxy-4-hydroxy-5-nitrobenzaldehyde (188 mg, 0.89 mmol), urea (160 mg, 2.70 mmol), conc. hydrochloric acid (0.5 mL) in ethanol (3 mL) was refluxed for 45 hours. The mixture was concentrated and purified by prep-HPLC (0.1% TFA as additive). To the residue was added HCl/MeOH (2 mL, 2 N) and concentrated to give Compound 136 as HCl salt (24.3 mg, yield 6%). HNMR (DMSO-d6 400 MHZ): δ 10.31 (brs, 1H), 9.03 (s, 1H), 8.72 (d, J=6.4 Hz, 2H), 7.71 (s, 1H), 7.61 (d, J=6.0 Hz, 2H), 7.45 (d, J=2.0 Hz, 1H), 7.30 (dd, J=4.8, 2.8 Hz, 1H), 7.17 (d, J=1.6 Hz, 1H), 7.02 (dd, J=2.8, 1.2 Hz, 1H), 6.50 (dd, J=5.2, 1.2 Hz, 1H), 5.32 (d, J=2.4 Hz, 1H), 4.05 (q, J=6.8 Hz, 2H), 1.34 (t, J=6.8 Hz, 3H). MS (ESI): m/z 438.9 [M+H]+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09067893B2
Source datasetuspto-grants-2015_06
ORD IDord-96c1e78b8c8248649c9e052c72389c85
Source noteuspto-grants-2015_06