HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 379102Generated: October 30, 2026
1,3-Dichloroacetone → 3-Chloro-2-oxopropyl 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylthio]butanoate
https://huagongshe.com/reaction/379102
Participants
| Role | Name | HCID | Charge |
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| Reactant | 1,3-Dichloroacetone | HCID 10793 | — |
| Reactant | Sodium Bicarbonate | HCID 516892 | — |
| Reactant | 3-Methyl-3(2,4,6-trimethoxyphenylmethylthio)butyric acid | HCID 15458139 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | 3-Chloro-2-oxopropyl 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylthio]butanoate | HCID 87991030 | 57% |
Reaction Steps
To a mixture of 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylthio]butanoic acid (3 g, 9.54 mmol) and sodium bicarbonate (975 mg, 11.6 mmol) in DMF (30 mL) was added a solution of 1,3-dichloroacetone (4.23 g, 33.4 mmol) in DMF (15 mL) at 0° C. under nitrogen. The reaction mixture was allowed to warm to room temperature, and stirred for 48 hours. The residue after evaporation of the solvent was partitioned between EtOAc and H2O. The organic phase was washed with water and brine, dried over MgSO4, filtered, and concentrated. The residue was chromatographed on silica gel eluting with EtOAc:Hex (20-30%) to give the title compound as a yellow oil (2.19 g, 57%). 1H NMR (300 MHz, CDCl3) δ 6.12 (s, 2H), 4.87 (s, 2H), 4.21 (s, 2H), 3.86-3.80 (mult, 11H), 2.83 (s, 2H), 1.52 (s, 6H); 13C NMR (75 MHz, CDCl3) δ 196.5, 170.1, 160.4, 158.6, 107.3, 90.7, 66.4, 55.8, 55.3, 46.3, 45.9, 43.8, 28.2, 20.9; mass spectrum (API-TIS) m/z 422 (M+NH4).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06297260B1 |
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| Source dataset | uspto-grants-2001_10 |
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| ORD ID | ord-63271b43cccd4a30ad7985a9a4148eed |
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| Source note | uspto-grants-2001_10 |
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