HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 723022Generated: October 30, 2026
Triethylamine → 2-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid isopropyl ester
https://huagongshe.com/reaction/723022
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | 1,4-Dioxane | HCID 31275 | — |
| Reactant | 4,4,5,5-Tetramethyl[1,3,2]dioxaborolane | HCID 2734768 | — |
| Reactant | 3-Bromo-2-methyl-benzoic acid isopropyl ester | HCID 65544829 | — |
| Catalyst | HCID 178418476 | HCID 178418476 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | 2-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid isopropyl ester | HCID 69586611 | 43% |
Reaction Steps
A 2-dram vial with a septa-containing screwcap was charged with a stirbar, 3-bromo-2-methyl-benzoic acid isopropyl ester ((Example 3: step a) 257 mg, 1 mmol), PdCl2(PPh3)2 (42 mg, 0.06 mmol), dioxane (4 mL), and triethylamine (420 μL, 3 mmol). Upon dissolution, 4,4,5,5-tetramethyl-[1,3,2]dioxaborolane (220 μL, 1.5 mmol) was added and the solution was vigorously stirred for 16 h at 100° C. After cooling to rt, EtOAc (30 mL) and water (10 mL) were added (gas evolution!) and the layers were separated. The organic layer was washed with NaHCO3 (2×10 mL), brine (10 mL), and was dried over sodium sulfate. Removal of the solvents in vacuo followed by SiO2 flash chromatography of the residue yielded the title compound (130 mg, 43%) as a light-yellow glass. 1H-NMR (CDCl3): δ 7.86 (dd, 1H, J=1.4, 7.4 Hz), 7.80 (dd, 1H, J=1.6, 7.7 Hz), 7.23 (t, 1H, J=7.7 Hz), 5.26 (heptet, 1H, J=6.3 Hz), 2.75 (s, 3H), 1.37 (m, 18H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07138530B2 |
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| Source dataset | uspto-grants-2006_11 |
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| ORD ID | ord-4404ec5564df4f668780db7cf81f6f37 |
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| Source note | uspto-grants-2006_11 |
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