HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1356589Generated: October 31, 2026
Carbon tetrabromide → Methyl 3-bromomethyl-5-tert-butylbenzoate
https://huagongshe.com/reaction/1356589
Participants
| Role | Name | HCID | Charge |
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| Reactant | Carbon tetrabromide | HCID 11205 | — |
| Reactant | Triphenylphosphine | HCID 11776 | — |
| Reactant | Methyl 3-tert-butyl-5-(hydroxymethyl)benzoate | HCID 12144659 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | Methyl 3-bromomethyl-5-tert-butylbenzoate | HCID 12144660 | 99% |
Reaction Steps
To a solution of methyl 3-tert-butyl-5-hydroxymethylbenzoate VII (9.50 g, 42.7 mmol) and carbon tetrabromide (17.25 g, 52.0 mmol) in dichloromethane (50 mL) was slowly added triphenylphosphine (13.6 g, 52.0 mmol) over the period of 20 minutes, and the mixture was stirred at room temperature for 25 minutes. The reaction mixture was concentrated under reduced pressure and the residue was suspended in ethyl acetate. The precipitate was removed by filtration and the filtrate was concentrated. The crude material was purified by a silica gel chromatography (hexanes/ethyl acetate, 4:1), and the product was re-crystallized form ethyl acetate/hexanes to afford methyl 3-bromomethyl-5-tert-butylbenzoate VIII (12.0 g, 42.1 mmol, 99%) as a white solid: 1H NMR (CDCl3) δ 1.45 (s, 9H), 3.7 (s, 3H), 4.4 (s, 2H), 7.6 (s, 1H), 7.8 (s, 1H), 8.0 (s, 1H); 13C NMR (CDCl3) δ 31.3 (3C), 33.2, 36.0, 52.3, 126.9, 127.5, 130.6, 130.7, 137.9, 152.4, 167.0.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06586623B2 |
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| Source dataset | uspto-grants-2003_07 |
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| ORD ID | ord-49e9fe19a2374a9482cea5e0b828350c |
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| Source note | uspto-grants-2003_07 |
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