HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 14911Erstellt: 24. Oktober 2026
Dimethylbarbituric acid → 4-(2-{4-[3-(tert-Butylamino-methyl)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol
https://huagongshe.com/de/reaction/14911
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|
| Edukt | Dimethylbarbituric acid | HCID 69860 | — |
| Edukt | Diisopropylethylamine | HCID 81531 | — |
| Edukt | tert-Butyl-(3-{2-[2-(4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}benzyl)-carbamic acid allyl ester | HCID 67045134 | — |
| Katalysator | HCID 178418397 | HCID 178418397 | — |
| Lösungsmittel | Dichloromethane | HCID 6344 | — |
| Produkt | 4-(2-{4-[3-(tert-Butylamino-methyl)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol | HCID 58603408 | 78% |
Reaktionsschritte
tert-Butyl-(3-{2-[2-(4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}benzyl)-carbamic acid allyl ester (intermediate 118, 176 mg) was dissolved in methylene chloride (5 mL), followed by addition of diisopropylethylamine (0.11 mL), 1,3-dimethylbarbituric acid (78 mg) then Pd(PPh3)4 (50 mg). The mixture was stirred at room temperature overnight. The mixture was washed with saturated NaHCO3, brine, dried over Na2SO4, filtered and chromatographed on silica gel with methylene chloride:methanol (95:5) to afford 112 mg of product in 78% yield. LC-MS showed the product had the expected M+H+ of 377. 1H NMR (Varian 300 MHz, CD3OD, shifts relative to the solvent peak at 3.31 ppm) δ 8.3 (d, 1H) 8.1 (s, 1H) 8.0 (d, 1H) 7.5 (m, 2H) 7.1 (m, 3H) 6.7 (m, 2H) 3.8 (s, 2H) 3.6 (m, 2H) 2.8 (m, 2H) 1.2 (s, 9H).
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patentnummer | US07732444B2 |
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| Quelldatensatz | uspto-grants-2010_06 |
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| ORD ID | ord-0974be82a2404348a52ec87cf5a8e60b |
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| Quellennotiz | uspto-grants-2010_06 |
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