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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 627868Generated: November 3, 2026

Trimethylsilylacetylene → N-(2-chlorophenyl)-8-ethynyl-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

https://huagongshe.com/reaction/627868

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrimethylsilylacetyleneHCID 66111—
Reactant8-bromo-N-(2-chlorophenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamideHCID 44242427—
CatalystCopper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 24350—
CatalystHCID 178418397HCID 178418397—
SolventWaterHCID 962—
SolventTriethylamineHCID 8471—
ProductN-(2-chlorophenyl)-8-ethynyl-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamideHCID 44242300—

Reaction Conditions

Temperature130 °C

Reaction Steps

A solution of 8-bromo-N-(2-chlorophenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide 150 (50 mg, 0.11 mmol) in triethylamine (2 mL) containing CuI (2.1 mg, 0.011 mmol) was degassed with bubbling nitrogen for 10 min. Pd(PPh3)4 (13 mg, 0.011 mmol) was added followed by trimethylsilylacetylene (5 equiv). The reaction vessel was sealed and heated in the microwave at 130° C. for 30 min. The cooled mixture was diluted with water and extracted with ethylacetate. The combined organics were concentrated and the residue dissolved in 2 mL methanol. The solution was treated with potassium carbonate (100 mg) and the suspension stirred for 2 hr at room temperature. The reaction mixture was concentrated, diluted with water and extracted with ethylacetate. The combined organics were concentrated and the residue purified by reverse phase HPLC to give 133. MS: (ESI+) 394.1.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09309265B2
Source datasetuspto-grants-2016_04
ORD IDord-69b0e3c4815749c7ba3042dbf34aa9e3
Source noteuspto-grants-2016_04