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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1449735Generated: November 2, 2026

1-Butyne, 3-chloro-3-methyl- → 1-[1,1-Dimethylethoxycarbonyl]-4-[3-(1,1-dimethylprop-2-ynylamino)-2-pyridinyl]piperazine

https://huagongshe.com/reaction/1449735

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1-Butyne, 3-chloro-3-methyl-HCID 70679—
Reactanttert-Butyl 4-(3-aminopyridin-2-yl)piperazine-1-carboxylateHCID 2756375—
CatalystCopperHCID 23978—
SolventDimethylformamideHCID 6228—
Product1-[1,1-Dimethylethoxycarbonyl]-4-[3-(1,1-dimethylprop-2-ynylamino)-2-pyridinyl]piperazineHCID 21477670—

Reaction Steps

To a mixture of 1-[1,1-dimethylethoxycarbonyl]-4-[3-amino-2-pyridinyl]piperazine (International Publication No. WO 88/08424, 5.40 g), cuprous chloride (1.00 g), copper powder (1.00 g), and dry dimethylformamide (25 ml) under nitrogen at 0° is added a solution of 3-chloro-3-methyl-1-butyne (2.00 g) in dry dimethylformamide (5 ml) in 4 portions over 15 min. The resulting mixture is then stirred at 20°-25° for 16 hrs, concentrated, and diluted with methylene chloride (75 ml) and water (20 ml). The layers are separated and the aqueous phase is extracted with methylene chloride (25 ml). The combined organic phase is washed with saline (20 ml), dried over anhydrous magnesium sulfate, and concentrated under reduced pressure to give a residue which is chromatographed on silica gel (70-230 mesh, 500 g), eluting with a gradient of ethyl acetate/hexane (10/90-20/80). Pooling of fractions giving an Rf =0.31 (ethyl acetate/hexane, 25/75) and removal of solvent under reduced pressure gives the title compound, NMR (CDCl3) 7.75, 7.47, 6.94, 4.61, 3.56, 3.00, 2.39, 1.64 and 1.48 δ.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS05599930
Source datasetuspto-grants-1997_02
ORD IDord-392627afab004cfeb009118761fdfec7
Source noteuspto-grants-1997_02