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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1449671Generated: November 1, 2026

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

https://huagongshe.com/reaction/1449671

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthyl 6-chloronicotinateHCID 2799611—
Reactant2,2,4,4-Tetramethyl-6-ethynylthiochromanHCID 15661129—
CatalystDichlorobis(triphenylphosphine)palladiumHCID 6102075—
SolventTriethylamineHCID 8471—
ProductEthyl 6-[(2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]nicotinateHCID 15661155—

Reaction Conditions

Temperature55 °C

Reaction Steps

A solution of 232 mg (1.01 mmol) of 2,2,4,4-tetramethyl-6-ethynylthiochroman (Compound 35) and 190 mg (1.03 mmol) of ethyl 6-chloro-nicotinate (Compound 29) in 2 ml of triethylamine was placed in a heavy-walled glass tube, degassed, placed under argon and then treated with a powdered mixture of 53 mg (0.28 mmol) of cuprous iodide and 84 mg (0.12 mmol) of bis(triphenylphosphine) palladium (II) chloride. The mixture was degassed again, placed under argon and the tube was sealed. The reaction mixture was heated at 55 degrees C. for 60 h and then cooled to room temperature. The mixture was treated with water and ether and the organic layer was separated. The aqueous layer was extracted with ether, the organic layers were then combined and washed with saturated NaCl solution and then dried (MgSO4). The solvent was removed in vacuo and the resultant residue was purified by flash chromatograhy (silica; 10% ethyl acetate in hexanes) to give the title compound as a dark yellow oil. PMR (CDCl3): & 1.32-1.43 (15H, m), 1.92 (2H, s), 4.38 (2H, q, J-7.1 Hz), 7.28 (1H, dd, J-8.3 Hz, 1.8 Hz), 7.32-7.38 (2H, m), 7.53 (1H, d, J-8.3 Hz), 8.24 (1H, dd, J-8.2 Hz, 2.2 Hz), 9.16 (1H, d, J-2.2 Hz). MS exact mass, m/e 379.1594 (calcd. for C23H25NO2S, 379.1606).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS05599819
Source datasetuspto-grants-1997_02
ORD IDord-0895ab9bfd5b4c91a05e4e41e4feb999
Source noteuspto-grants-1997_02