HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 471850Erstellt: 25. Oktober 2026
Nitrogen → 1,1-dimethylethyl 6-[3-(aminocarbonyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate
https://huagongshe.com/reaction/471850
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|
| Edukt | Nitrogen | HCID 947 | — |
| Edukt | Potassium Phosphate, Tribasic | HCID 62657 | — |
| Edukt | (3-Carbamoylphenyl)boronic acid | HCID 2737814 | — |
| Edukt | Tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydroisoquinoline-2(1H)-carboxylate | HCID 10091216 | — |
| Katalysator | HCID 178418397 | HCID 178418397 | — |
| Lösungsmittel | Water | HCID 962 | — |
| Lösungsmittel | Dimethylformamide | HCID 6228 | — |
| Produkt | 1,1-dimethylethyl 6-[3-(aminocarbonyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate | HCID 58276342 | — |
Reaktionsschritte
A solution of 3-(aminocarbonyl)phenyl boronic acid (0.663 g; 4.0 mmol), 1,1-dimethylethyl 6-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1H)-isoquinoline carboxylate (1.28 g; 3.35 mmol; Ex V-16) in DMF (10 mL) was sparged with N2 for 10 min, K3PO4 (1.7 g; 8.0 mmol) and Pd(PPh3)4 (0.193 g; 0.17 mmol) were added and the mixture was stirred at 100° C. for 2 h. Upon cooling, the mixture was poured into water and extracted with EtOAc (×3). Combined organics were washed (H2O, brine), and dried over Na2SO4. Residual solids were collected from the aqueous layer by filtration, air-dried, dissolved in hot EtOH and combined with the dried EtOAc extracts. The whole was adsorbed onto a minimal amount of silica gel and purified by flash chromatography (EtOAc/hexanes), affording the title compound as a as a colorless solid. LC/MS (method B) 2.69 min; m/z 297 ([M−C4H8]+H, 70%), 253 ([M−Boc]+H, 74%).
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patentnummer | US08633175B2 |
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| Quelldatensatz | uspto-grants-2014_01 |
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| ORD ID | ord-a25894fdf5e94c298324b42f90c6b2f1 |
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| Quellennotiz | uspto-grants-2014_01 |
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