HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2052785Generated: October 30, 2026
Methanol → Methyl 2-chloro-4-t-butylbenzoate
https://huagongshe.com/reaction/2052785
Participants
| Role | Name | HCID | Charge |
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| Reactant | Methanol | HCID 887 | — |
| Reactant | Dimethylformamide | HCID 6228 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | 1,3-Bis(phenylphosphino)propane | HCID 4366891 | — |
| Reactant | Trifluoro-methanesulfonic acid 4-tert-butyl-2-chloro-phenyl ester | HCID 17859607 | — |
| Catalyst | palladium(II) acetate | HCID 167845 | — |
| Solvent | HCID 178418416 | HCID 178418416 | — |
| Product | Methyl 2-chloro-4-t-butylbenzoate | HCID 17859604 | — |
Reaction Steps
The triflate compound (638 mg, 2 mmol) obtained in Step 1-2, palladium acetate (14 mg), 1,3-diphenylphosphinopropane (25 mg), methanol (4 ml) and triethylamine (0.6 ml) were dissolved in dimethylformamide (5 ml), and the obtained solution was stirred at 80° C. in carbon monoxide atmosphere for 16 hours. After leaving the reaction mixture to cool followed by the extraction with ethyl acetate/hexane and the purification by the silica gel column chromatography, methyl 2-chloro-4-t-butylbenzoate was obtained. The ester thus obtained was dissolved in dichloromethane (2 ml). 1 M solution (2.5 ml) of diisobutylaluminum hydride in toluene was added dropwise to the obtained solution at −78° C. in argon atmosphere, and the resulting solution was stirred at that temperature for 5 minutes. 0.5 M hydrochloric acid (20 ml) was added to the reaction mixture, and the temperature was elevated to room temperature. After the extraction with ethyl acetate followed by the purification by the silica gel column chromatography, 2-chloro-4-t-butylbenzyl alcohol (yield: 204 mg, 51%) was obtained.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07326701B2 |
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| Source dataset | uspto-grants-2008_02 |
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| ORD ID | ord-a6ca1e72988c4499b320b78d72395878 |
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| Source note | uspto-grants-2008_02 |
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