HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 551045Generated: October 30, 2026
Butanoic acid, 4-chloro-4-oxo-, ethyl ester → HCID 57426203, compound
https://huagongshe.com/reaction/551045
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Butanoic acid, 4-chloro-4-oxo-, ethyl ester | HCID 84648 | — |
| Reactant | 4-Nitro-1H-indole | HCID 145766 | — |
| Reactant | Dimethylalumanylium chloride | HCID 16686359 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 57426203 | HCID 57426203 | — |
Reaction Steps
To a stirred solution of 4-nitroindole (2.00 g, 12.3 mmol) in CH2Cl2 (60 mL) at 0° C. was added dimethylaluminum chloride (1 M in hexanes, 14.8 mL, 14.8 mmol) and the mixture was stirred for 30 min. Ethyl 4-chloro-4-oxobutyrate (2.44 g, 14.8 mmol) was added dropwise and the resulting mixture was allowed to warm slowly to ambient temperature and stirred for 18 h. The reaction mixture was carefully quenched with 10% aqueous citric acid (150 mL) and extracted with CH2Cl2 (3×150 mL). The combined organic extracts were dried over Na2SO4, filtered, and concentrated in vacuo. The residue was partially purified by silica gel chromatography, eluting with a gradient of CH2Cl2:EtOAc—100:0 to 65:35, and the resulting crude product was recrystallized from CH2Cl2:MeOH to give the title compound. MS: m/z=291 (M+1).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07947677B2 |
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| Source dataset | uspto-grants-2011_05 |
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| ORD ID | ord-aa272e042d5e489ebb097657be1a3278 |
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| Source note | uspto-grants-2011_05 |
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