HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 489402Generated: October 27, 2026
p-Toluenesulfonic acid → Ethyl 4-(2-chlorophenyl)-4,7-dihydro-2-methyl-6-propyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
https://huagongshe.com/reaction/489402
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | p-Toluenesulfonic acid | HCID 6101 | — |
| Reactant | 1-Methyl-3-aminopyrazole | HCID 137254 | — |
| Reactant | Ethyl 2-(2-chlorophenyl)methylene-3-oxohexanoate | HCID 69733996 | — |
| Solvent | Dimethyl Sulfoxide | HCID 679 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | Ethyl 4-(2-chlorophenyl)-4,7-dihydro-2-methyl-6-propyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate | HCID 135583757 | — |
Reaction Steps
A solution of ethyl 3-ketohexanoate (7.5 g), 2-chlorobenzaldehyde (6.6 g), piperidine (1.2 g) and acetic acid (2.25 g) in benzene (50 ml) was heated under reflux for 5 hours, and the reaction mixture was dehydrated using a Dean-Stark condenser. The solvent was evaporated under reduced pressure, and the residue was purified by silica gel column chromatography using an eluent (hexane-ethyl acetate (3:1)) to give ethyl 2-(2-chlorophenyl)methylen-3-oxohexanoate ((E)/(Z)=1:1 mixture) as a yellow oil. A solution of ethyl 2-(2-chlorophenyl)methylene-3-oxohexanoate ((E)/(Z)=1:1 mixture, 2.8 g), 3-amino-1-methylpyrazole (0.25 g) and p-toluenesulfonic acid (25 mg) in toluene (5 mL) and dimethylsulfoxide (0.5 mL) was heated under reflux for one day. The solvent was evaporated under reduced pressure, and the mixture was extracted with ethyl acetate (10 mL) and washed with a saturated aqueous sodium chloride solution. The organic layer was dried over anhydrous sodium sulfate and the solvent was evaporated under reduced pressure to give an oil. The obtained oil was purified by silica gel column chromatography (eluent (ethyl acetate-methanol (10:1))) to give the title compound as colorless crystals.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06977262B2 |
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| Source dataset | uspto-grants-2005_12 |
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| ORD ID | ord-74f1caa266ea4da288617841a066fc2c |
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| Source note | uspto-grants-2005_12 |
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