HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1473030Generated: October 25, 2026
Triphenylphosphine → tert-Butyl 3-((2-(methylthio)-5-(trifluoromethyl)pyrimidin-4-yl)ethynyl)benzoate
https://huagongshe.com/reaction/1473030
Participants
| Role | Name | HCID | Charge |
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| Reactant | Triphenylphosphine | HCID 11776 | — |
| Reactant | 4-Iodo-2-(methylthio)-5-(trifluoromethyl)pyrimidine | HCID 71743393 | — |
| Reactant | Tert-butyl 3-ethynylbenzoate | HCID 71743555 | — |
| Catalyst | HCID 178418476 | HCID 178418476 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | tert-Butyl 3-((2-(methylthio)-5-(trifluoromethyl)pyrimidin-4-yl)ethynyl)benzoate | HCID 71217514 | — |
Reaction Steps
t-Butyl 3-ethynylbenzoate (I17) (1.603 g, 7.93 mmol), 4-iodo-2-(methylthio)-5-(trifluoromethyl)pyrimidine (I14) (1.647 g, 5.15 mmol), PdCl2(PPh3)2 (0.316 g, 0.45 mmol), PPh3 (0.355 g, 1.35 mmol), Cu(I)I (0.232 g, 1.22 mmol) and trethylamine (4.00 mL, 28.7 mmol) were combined in DMF (20 mL) and the resulting mixture heated at 120° C. under microwave irradiation for 25 minutes. The mixture was then concentrated under reduced pressure and purified twice using silica gel column chromatography (10-20% EtOAc/petroleum benzine 40-60° C. then 50-100% DCM/petroleum benzine 40-60° C.) to give the title compound (I18) (0.624 g, 31%) as a yellow solid; 1H NMR (400 MHz, CDCl3) δ 8.73 (d, J=0.8 Hz, 1H), 8.25 (m, 1H), 8.08 (m, 1H), 7.78 (m, 1H), 7.48 (m, 1H), 2.63 (s, 3H), 1.61 (s, 9H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09012461B2 |
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| Source dataset | uspto-grants-2015_04 |
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| ORD ID | ord-39209b54b4fb4e328f6524c5b8c22088 |
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| Source note | uspto-grants-2015_04 |
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