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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1631014Generated: October 30, 2026

Water → HCID 58554111, compound

https://huagongshe.com/reaction/1631014

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantTert-butyl 3-aminopropanoate hydrochlorideHCID 16218890—
Reactant5-Cyano-2-fluoro-3-picolineHCID 23288269—
SolventDimethyl SulfoxideHCID 679—
ProductHCID 58554111HCID 5855411194%

Reaction Conditions

Temperature150 °C

Reaction Steps

A mixture of 6-fluoro-5-methylnicotinonitrile (Molekula 11370, 10 g, 73.4 mmol), beta-alanine tert-butyl ester hydrochloride (16 g, 88.1 mmol) and TEA (25.6 mL, 183.6 mmol) was prepared in DMSO (100 mL) under nitrogen, and then heated at 150° C. for 4 hours. The reaction mixture was cooled to 100° C. and water (100 mL) was added drop wise. The resulting mixture was stirred at RT for 2 hours, and then the precipitate was filtered off, washed with water and dried under reduced pressure to afford the title compound as a white solid (18 g, 94%). 1H NMR (DMSO-d6, 400 MHz) δ 8.31 (1H, s), 7.56 (1H, s), 6.97 (1H, m), 3.59 (2H, m), 2.50 (2H, m), 2.02 (3H, s), 1.36 (9H, s).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08791142B2
Source datasetuspto-grants-2014_07
ORD IDord-db5d696003c5405fad302b961f1d6b07
Source noteuspto-grants-2014_07