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Hydrochloric Acid → (R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)hydrazino]-2-hydroxypropionic Acid Ethyl Ester

HRID 1043988
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1043988
[CH3:1][O:2][C:3](=[O:24])[C@H:4]([OH:23])[CH2:5][N:6]([CH2:15][C:16]1[CH:21]=[CH:20][C:19](Br)=[CH:18][CH:17]=1)[NH:7]C(OC(C)(C)C)=O.[Cl:25][C:26]1[CH:27]=[CH:28][C:29]([F:35])=[C:30](B(O)O)[CH:31]=1.[C:36]([O-])([O-])=O.[K+].[K+].O.Cl.O1CCOCC1>CCOCC.[Pd].CCO>[CH2:1]([O:2][C:3](=[O:24])[C@H:4]([OH:23])[CH2:5][N:6]([CH2:15][C:16]1[CH:17]=[CH:18][C:19]([C:28]2[CH:27]=[C:26]([Cl:25])[CH:31]=[CH:30][C:29]=2[F:35])=[CH:20][CH:21]=1)[NH2:7])[CH3:36]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

10

Edukt 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 11430Potassium CarbonateHCID 312751,4-DioxaneHCID 3718925(5-Chloro-2-fluoro-phenyl)boronic acidHCID 67972599(R)-3-[N-(4-Bromobenzyl)-N'-t-butoxycarbonylhydrazino]-2-hydroxypropionic acid methyl ester

Produkt 1

HCID 67972425
(R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)hydrazino]-2-hydroxypropionic Acid Ethyl Ester
Ausbeute 15,3 %

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 23938PalladiumKatalysatorHCID 702EthanolLösungsmittel3×HCID 3283Diethyl EtherLösungsmittel

Reaktionsbedingungen

Temperatur
90 °C

Versuchsvorschrift

(R)-3-[N-(4-Bromobenzyl)-N′-t-butoxycarbonyl-hydrazino]-2-hydroxy-propionic acid methyl ester (1.0 g, 2.5 mmol), 5-chloro-2-fluorophenylboronic acid (865 mg, 4.96 mmol), and K2CO3 (857 mg, 6.2 mmol), were combined in EtOH (30 mL, 500 mmol) and water (8 mL, 400 mmol), followed by the addition of SilicaCat® DPP-Pd (0.28 mmol/g loading; 886 mg, 248 μmol). The mixture was heated at 90° C. until the reaction was complete (2 hours). The precipitate was filtered off, and the filtrate was concentrated and purified (Interchim reverse phase chromatography column; 30-95% MeCN in water with 0.5% TFA). The clean fractions were collected, lyophilized, and combined with 4 M HCl in dioxane (8 mL, 30 mmol) and EtOH (10 mL, 200 mmol). The resulting mixture was stirred at room temperature until the reaction was complete (7 hours). The mixture was concentrated to yield an oil, which was stirred in ether with few drops of EtOH overnight. The precipitate was filtered off and rinsed with ether to yield the title compound (140 mg).

Aufarbeitung

  1. custom(2 hours)
  2. filtrationThe precipitate was filtered off
  3. concentrationthe filtrate was concentrated
  4. custompurified (Interchim reverse phase chromatography column; 30-95% MeCN in water with 0.5% TFA)
  5. customThe clean fractions were collected
  6. custom(7 hours)
  7. concentrationThe mixture was concentrated
  8. customto yield an oil, which
  9. filtrationThe precipitate was filtered off
  10. washrinsed with ether

Quellen und Nachweise

ORD-Eintrag
ord-8f95afc2fd0e4def84b8a16575229dd2
Quelldatensatz
uspto-grants-2013_10
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08563512B2

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