HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 1919891Erstellt: 27. Oktober 2026
Acetic Acid → Methyl 4-[3-[(4-chlorophenyl)amino]-2-(4-methylpiperazin-1-yl)-3-oxopropyl]benzoate
https://huagongshe.com/reaction/1919891
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|
| Edukt | Acetic Acid | HCID 176 | — |
| Edukt | 1-Methylpiperazine | HCID 53167 | — |
| Edukt | 4-Chlorophenyl isocyanide | HCID 74670 | — |
| Edukt | Methyl 4-(2-oxoethyl)benzoate | HCID 13844675 | — |
| Lösungsmittel | Methanol | HCID 887 | — |
| Lösungsmittel | 2,2,2-Trifluoroethanol | HCID 6409 | — |
| Produkt | Methyl 4-[3-[(4-chlorophenyl)amino]-2-(4-methylpiperazin-1-yl)-3-oxopropyl]benzoate | HCID 57611860 | — |
Reaktionsschritte
Methyl 4-formylmethylbenzoate (52.3 mg, 0.294 mmol), 4-chlorophenyl isocyanide (40.4 mg, 0.294 mmol), N-methylpiperazine (39.1 μL, 0.352 mmol) and AcOH (16.6 μL, 0.294 mmol) were dissolved in 100 μL of trifluoroethanol and heated at 50° C. for 3 hours. The reaction mixture was diluted with 2 mL of methanol and purified by reverse phase HPLC to afford the desired product. MS cal'd 416.2 (MH+), exp 416.2 (MH+).
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patentnummer | US08168658B2 |
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| Quelldatensatz | uspto-grants-2012_05 |
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| ORD ID | ord-61019d8d55cb4a5c83cdd8f1354fbb45 |
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| Quellennotiz | uspto-grants-2012_05 |
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