HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 1963792Erstellt: 25. Oktober 2026
1-Butanol → N-(2-Chloro-5-(4-(pyridin-3-yl)quinolin-6-yl)pyridin-3-yl)methanesulfonamide
https://huagongshe.com/reaction/1963792
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|
| Edukt | 1-Butanol | HCID 263 | — |
| Edukt | Potassium Acetate | HCID 517044 | — |
| Edukt | 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | HCID 2734656 | — |
| Edukt | n-(2-Chloro-5-(4-chloro-6-quinolinyl)-3-pyridinyl)methanesulfonamide | HCID 44608919 | — |
| Katalysator | Dichlorobis((di-tert-butyl)phenylphosphine)palladium(II) | HCID 56649816 | — |
| Lösungsmittel | Water | HCID 962 | — |
| Produkt | N-(2-Chloro-5-(4-(pyridin-3-yl)quinolin-6-yl)pyridin-3-yl)methanesulfonamide | HCID 58229493 | 51,2% |
Reaktionsschritte
To a 5 mL microwave vial, N-(2-chloro-5-(4-chloroquinolin-6-yl)pyridin-3-yl)methanesulfonamide (0.0500 g, 0.136 mmol, Example 9), 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (0.0334 g, 0.163 mmol), potassium acetate (0.0333 g, 0.339 mmol) and dichlorobis(di-tert-butylphenylphosphine)palladium(II) (0.0042 g, 0.0068 mmol) were mixed into 1 mL of nBuOH along with 0.1 mL of water. The reaction mixture was stirred at 105° C. for 3 h. The reaction mixture was partitioned between water (10mL)/brine (10 mL) and 25% IPA/CHCl3 (20 mL). The aqueous phase was extracted with 25% IPA/CHCl3 (2×20 mL). The combined organic phases were dried over sodium sulfate, filtered and concentrated in vacuo. The crude product was purified by silica gel column chromatography (eluent: acetone in DCM 20%-70%) to afford an off white solid (0.0286 g) as the desired product. MS (ESI pos. ion) m/z calcd for C20H15ClN4O2S: 410.1; found 410.9 [M+1]. 1H NMR (300 MHz, DMSO-d6) δ ppm 9.85 (s, 1 H) 9.05 (d, J=4.38 Hz, 1 H) 8.86 (d, J=1.75 Hz, 1 H) 8.77 (dd, J=4.82, 1.61 Hz, 1 H) 8.63 (d, J=2.34 Hz, 1 H) 8.24-8.33 (m, 1 H) 8.09-8.24 (m, 3 H) 8.05 (d, J=1.75 Hz, 1 H) 7.59-7.69 (m, 2 H) 3.16 (s, 3 H).
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patentnummer | US08415376B2 |
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| Quelldatensatz | uspto-grants-2013_04 |
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| ORD ID | ord-bdc8281241fe4ec79dddf151cae743f5 |
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| Quellennotiz | uspto-grants-2013_04 |
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