Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 508919Generated: October 26, 2026

1,4-Dichloro-2-iodobenzene → 5-(2-Chloro-6-fluorophenyl)-2-{4-[(2,5-dichlorophenyl)ethynyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

https://huagongshe.com/reaction/508919

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1,4-Dichloro-2-iodobenzeneHCID 122452—
ReactantTetrabutylammonium FluorideHCID 2724141—
Reactant5-(2-chloro-6-fluorophenyl)-2-(4-ethynylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-oneHCID 136644858—
CatalystHCID 178418476HCID 178418476—
SolventDimethyl SulfoxideHCID 679—
Product5-(2-Chloro-6-fluorophenyl)-2-{4-[(2,5-dichlorophenyl)ethynyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-oneHCID 13649247827.3%

Reaction Steps

The title compound was prepared according to the procedure described in Example-3 using 5-(2-chloro-6-fluorophenyl)-2-(4-ethynylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (Intermediate-2, 0.100 g, 0.319 mmol), 1,4-dichloro-2-iodobenzene (0.130 g, 0.470 mmol), TBAF (0.201 g, 0.638 mmol), bis(triphenylphosphine)palladium(II) chloride (0.020 g, 0.028 mmol) and DMSO (3.0 mL). The obtained product was purified with column chromatography on silica gel eluting with 1.0% MeOH:DCM to afford 0.040 g of the desired product. 1H NMR (300 MHz, DMSO d6): δ 7.50-7.72 (m, 7H), 7.82 (s, 1H), 8.05 (d, J=8.7 Hz, 2H), 12.75 (br s, 1H). MS (m/z): 458.31 (M+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09096545B2
Source datasetuspto-grants-2015_08
ORD IDord-65b61e405ac24f51915f95192e57c3f2
Source noteuspto-grants-2015_08