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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1734727Generated: November 1, 2026

Ethyl 6-chloronicotinate → Ethyl 6-[(2,2,4,4-tetramethylchroman-6-yl)-ethynyl]nicotinate

https://huagongshe.com/reaction/1734727

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthyl 6-chloronicotinateHCID 2799611—
Reactant2,2,4,4-Tetramethyl-6-ethynylchromanHCID 15661138—
CatalystDichlorobis(triphenylphosphine)palladiumHCID 6102075—
SolventTriethylamineHCID 8471—
ProductEthyl 6-[(2,2,4,4-tetramethylchroman-6-yl)-ethynyl]nicotinateHCID 9820418—

Reaction Conditions

Temperature55 °C

Reaction Steps

A solution of 233 mg (1.09 mmol) of 2,2,4,4-tetramethyl-6-ethynylchroman (Compound 42) and 209 mg (1.09 mmol) of ethyl 6-chloronicotinate (Compound 29) in 1 ml of triethylamine was degassed and then treated under argon with a powdered mixture of 50 mg (0.26 mmol) of cuprous iodide and 100 mg (0.14 mmol) of bis(triphenylphosphine) palladium (II) chloride. The reaction mixture was heated under argon at 55 degrees C. for 80 h and then cooled to room temperature. The triethylamine was then removed under vacuum and the residue purified by flash chromatography (silica; 5% ethyl acetate in hexanes) to give the title compound as a yellow oil. PMR (CDCl3): & 1.36 (12H, s), 1.42 (3H, t, J-7.2 Hz), 1.85 (2H, s), 4.37 (2H, q, J-7.2 Hz), 6.79 (1H, d, J-0.4 Hz), 7.34 (1H, dd, J-8.4 Hz, 2.1 Hz), 7.56 (1H, d, J-8.7 Hz), 7.60 (1H, d, J-2.1 Hz), 8.27 (1H, dd, J-8.7 Hz, 2.4 Hz), 9.19 (1H, d, J-2.4 Hz). MS exact masss, m/e 363.1837 (calcd. for C23H25O3N, 363.1834).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS05534516
Source datasetuspto-grants-1996_07
ORD IDord-2c8bf43a26164d558d586a98059630da
Source noteuspto-grants-1996_07