HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1047484Generated: October 30, 2026
p-Chlorothiophenol → 2-[(4-Chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-malonic Acid Dimethyl Ester
https://huagongshe.com/reaction/1047484
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | p-Chlorothiophenol | HCID 7815 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | 2-(2,3,6-Trifluoro-benzylidene)-malonic Acid Dimethyl Ester | HCID 58445302 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 2-[(4-Chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-malonic Acid Dimethyl Ester | HCID 58445323 | — |
Reaction Steps
2-(2,3,6-Trifluoro-benzylidene)-malonic acid dimethyl ester (6.5 g, 23.7 mmol) and 4-chlorothiophenol (5.1 g, 35.5 mmol) were dissolved in 100 mL THF. K2CO3 (5 g, excess) was added, the reaction mixture was stirred at 60° C. for three hours. 300 mL of EtOAc and 300 mL of water were added. The organic layer was separated, washed with water, dried over Na2SO4 and concentrated. The product was purified by column chromatography using EtOAc/hexane as the eluent. (Gradient from 0/100 to 25/75 in 45 min, 7.1 g, 72%). 1H NMR (CDCl3 400 MHz) δ 7.26 (m, 4H), 7.03 (m, 1H), 6.75 (m, 1H), 5.08 (d, J=11.7 Hz, 1H), 4.34 (d, J=12.4 Hz, 1H), 3.84 (s, 3H), 3.56 (s, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US08569521B2 |
|---|
| Source dataset | uspto-grants-2013_10 |
|---|
| ORD ID | ord-da3c4c9d5a9e4e2a9ac5f8afe3621ad4 |
|---|
| Source note | uspto-grants-2013_10 |
|---|