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Dimethyl Sulfoxide → 5-(4-fluorophenyl)-1-(2-((2S,4S)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide

HRID 360023
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 360023
NCC[CH:4]1[O:9][C:8]2([CH2:14]CCCC2)[O:7][CH:6]([CH2:15][C:16]([OH:18])=O)[CH2:5]1.[F:19][C:20]1[CH:25]=[CH:24][C:23]([C:26](=O)[CH:27]([C:43]2[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=2)[CH:28]([C:38](=O)C(C)C)[C:29]([NH:31][C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)=[O:30])=[CH:22][CH:21]=1.C(O[CH2:53][CH3:54])C.[Cl-].[NH4+:56].[CH3:57]S(C)=O>O>[F:19][C:20]1[CH:25]=[CH:24][C:23]([C:26]2[N:56]([CH2:4][CH2:5][C@H:6]3[CH2:15][C@H:16]([OH:18])[CH2:14][C:8](=[O:9])[O:7]3)[C:38]([CH:53]([CH3:54])[CH3:57])=[C:28]([C:29]([NH:31][C:32]3[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=3)=[O:30])[C:27]=2[C:43]2[CH:44]=[CH:45][CH:46]=[CH:47][CH:48]=2)=[CH:22][CH:21]=1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 5

HCID 679Dimethyl SulfoxideHCID 3283Diethyl EtherHCID 25517Ammonium ChlorideHCID 99098724-(4-Fluorophenyl)-2-(2-methyl-1-oxopropyl)-4-oxo-3,N-diphenylbutanamideHCID 150451434-(2-Aminoethyl)-1,5-dioxaspiro[5.5]undecane-2-acetic acid

Produkt 1

HCID 13923665
5-(4-fluorophenyl)-1-(2-((2S,4S)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 962WaterLösungsmittel

Reaktionsbedingungen

Temperatur
105 °C

Versuchsvorschrift

A solution of 0.31 g (1.21 mmol) of (±)-cis-(4-(2-aminoethyl)-1,5-dioxaspiro[5.5]undecane-2-acetic acid and 0.504 g (1.20 mmol) of (±)-4-fluoro-α-[2-methyl-1-oxopropyl]-γoxo-N,β-diphenylbenzenebutaneamide mixture of [R-(R*,R*)], [R-(R*,S*)], [S-(R*,R*)] and [S-(R*,S*)] isomers in 5 mL of dimethyl sulfoxide is heated at 105° C. for 15 hours. The solution is cooled and poured into 100 mL of diethyl ether and 50 mL of saturated ammonium chloride in water. The layers are separated and the organic layer washed with water (2×50 mL) and 5% sodium hydroxide solution (2×mL --to extract the intermediate acid from unreacted diketone). The aqueous layer is acidified with dilute hydrochloric acid solution, stirred for three hours and extracted with 30 mL of ethyl acetate to remove the protecting group before lactonization. The extract is concentrated and dissolved in 30 mL of ethyl acetate. A drop of concentrated hydrochloric acid is added to the ethyl acetate solution and allowed to stand 18 hours. The solution is concentrated in vacuo and the concentrate is redissolved in 30 mL of ethyl acetate and treated with one drop of concentrated hydrochloric acid. The solution is stirred two hours, concentrated in vacuo, and dissolved in 6 mL of toluene. Trans-(±)-5-(4-fluoro-phenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1H-pyrrole-3-carboxamide crystallizes and is isolated by filtration. A total of 0.155 g of trans-(±)-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1H-pyrrole-3-carboxamide is isolated in two crops.

Aufarbeitung

  1. temperatureThe solution is cooled
  2. customThe layers are separated
  3. washthe organic layer washed with water (2×50 mL) and 5% sodium hydroxide solution (2×mL
  4. extractionto extract the intermediate acid from unreacted diketone)
  5. extractionextracted with 30 mL of ethyl acetate
  6. customto remove the protecting group before lactonization
  7. concentrationThe extract is concentrated
  8. dissolutiondissolved in 30 mL of ethyl acetate
  9. additionA drop of concentrated hydrochloric acid is added to the ethyl acetate solution
  10. waitto stand 18 hours
  11. concentrationThe solution is concentrated in vacuo
  12. dissolutionthe concentrate is redissolved in 30 mL of ethyl acetate
  13. additiontreated with one drop of concentrated hydrochloric acid
  14. stirringThe solution is stirred two hours
  15. concentrationconcentrated in vacuo
  16. dissolutiondissolved in 6 mL of toluene
  17. customTrans-(±)-5-(4-fluoro-phenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1H-pyrrole-3-carboxamide crystallizes
  18. customis isolated by filtration

Quellen und Nachweise

ORD-Eintrag
ord-1f2e0a9f81ae44cc9ba854035ff07b0b
Quelldatensatz
uspto-grants-1991_03
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US05003080

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