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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 906617Generated: October 31, 2026

Ethynyltributyltin → HCID 59164456, compound

https://huagongshe.com/reaction/906617

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthynyltributyltinHCID 621176—
ReactantMethyl 2-amino-5-iodo-4-(trifluoromethyl)benzoateHCID 53436880—
CatalystHCID 178418397HCID 178418397—
Solvent1,4-DioxaneHCID 31275—
ProductHCID 59164456HCID 5916445669%

Reaction Conditions

Temperature120 °C

Reaction Steps

To a solution of 2-amino-5-iodo-4-trifluoromethyl-benzoic acid methyl ester (1.5 g, 4.35 mmol) in dioxane (80 mL) were added tributyl(ethynyl)tin (1.4 mL, 4.78 mmol) and (Ph3P)4Pd (251.2 mg, 0.217 mmol) and the mixture was heated to 120° C. for 1.5 h. After cooling to r.t., the solvent was removed in vacuo and the residue was purified by two successive flash chromatographies (150 g silica gel, hexanes→DCM:hexanes (3:7 to 1:1) and then (50 g silica gel, hexanes→EtOAc:hexanes (1:9)) to provide the title compound (730 mg, 69%) as a beige-orange solid. API-ES: m/z 244 [M+H]+, rt 5.14 min.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08012988B2
Source datasetuspto-grants-2011_09
ORD IDord-0a4a90aeffff4314aaafc196baefe201
Source noteuspto-grants-2011_09