HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1616477Generated: October 30, 2026
Potassium Carbonate → Methyl 5-chloro-2-ethynylbenzoate
https://huagongshe.com/reaction/1616477
Participants
| Role | Name | HCID | Charge |
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| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | Methyl 5-chloro-2-[2-(trimethylsilyl)ethynyl]benzoate | HCID 70872518 | — |
| Solvent | Methanol | HCID 887 | — |
| Product | Methyl 5-chloro-2-ethynylbenzoate | HCID 86672667 | 78.8% |
Reaction Steps
To a solution of methyl 5-chloro-2-[2-(trimethylsilyl)ethynyl]benzoate (10 g, 37.5 mmol) in Methanol (150 ml) was added K2CO3 (10.36 g, 75 mmol) at room temperature and in air. The reaction mixture was stirred for 1 hour before being concentrated under reduced pressure. The residue was dissolved in deionized water (50 ml) and EtOAc (50 ml). The phases were separated and the aqueous layer was extracted with EtOAc (2×50 ml). The combined organic extracts were dried over MgSO4, filtered and concentrated under reduced pressure. The residue was purified by FCC (50 g silica, Isolute cartridge, gradient of eluents; 95:5 Heptane:EtOAc to 9:1 Heptane:EtOAc) to give 5.75 g (55.2%) of methyl 5-chloro-2-ethynylbenzoate as an orange oil that solidified upon standing. This material contained 30% of ethyl ester which was suitable for use without any further purification. LC-MS 38%, 1.98 min (3 minute LC-MS method), m/z=195.0/196.9, 1H NMR (500 MHz, Chloroform-d) δ ppm 7.93 (d, J=2.2 Hz, 1H), 7.55 (d, J=8.3 Hz, 1H), 7.45 (dd, J=8.3, 2.3 Hz, 1H), 3.94 (s, 3H), 3.43 (s, 1H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08765732B2 |
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| Source dataset | uspto-grants-2014_07 |
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| ORD ID | ord-6bf08ee861fd400ebb4b3eb9e45f2859 |
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| Source note | uspto-grants-2014_07 |
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