StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Reaktion

Triethylamine → 3-(3-(4-(Pyridin-3-yloxy)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine

HRID 640294
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 640294
[N+:1]([CH2:4][CH2:5][C:6]1[CH:18]=[CH:17][C:9]([O:10][C:11]2[CH:12]=[N:13][CH:14]=[CH:15][CH:16]=2)=[CH:8][CH:7]=1)([O-:3])=O.C[O-].[Li+].C(=O)(O)[O-].[Na+].[C:27]([C:29]1[C:30]([NH2:35])=[N:31][CH:32]=[CH:33][CH:34]=1)#[CH:28].C(N(CC)CC)C>[Ti](Cl)(Cl)(Cl)Cl.O.O1CCCC1.C(OCC)(=O)C.CO>[N:13]1[CH:14]=[CH:15][CH:16]=[C:11]([O:10][C:9]2[CH:17]=[CH:18][C:6]([CH2:5][C:4]3[CH:28]=[C:27]([C:29]4[C:30]([NH2:35])=[N:31][CH:32]=[CH:33][CH:34]=4)[O:3][N:1]=3)=[CH:7][CH:8]=2)[CH:12]=1
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

11

Edukt 5

HCID 8471TriethylamineHCID 516892Sodium BicarbonateHCID 4177230Lithium methanolateHCID 124225263-Ethynylpyridin-2-amineHCID 592552763-(4-(2-Nitro-ethyl)-phenoxy)-pyridine

Produkt 1

HCID 592552913-(3-(4-(Pyridin-3-yloxy)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine
Ausbeute 10 %

Reagenzien, Katalysatoren, Lösungsmittel 5

HCID 24193Titanium TetrachlorideKatalysatorHCID 887MethanolLösungsmittelHCID 962WaterLösungsmittelHCID 8028TetrahydrofuranLösungsmittelHCID 8857Ethyl AcetateLösungsmittel

Versuchsvorschrift

To a methanol (10.0 mL) solution of 3-(4-(2-nitro-ethyl)-phenoxy)-pyridine (819 mg, 3.35 mmol) described in Manufacturing Example 76-1-3 was added lithium methoxide (254 mg, 6.70 mmol) under nitrogen atmosphere at room temperature, which was stirred for 30 minutes at room temperature. The solvent was evaporated from the reaction mixture under a reduced pressure, and anhydrous dichloromethane (15.0 ml) and anhydrous tetrahydrofuran (7.00 mL) were added to the residue. Titanium (IV) chloride (1.18 mL, 10.7 mmol) was added dropwise to the reaction mixture on a dry ice-ethanol bath (−78° C.), and stirred for 30 minutes at room temperature. Sodium bicarbonate solution and ethyl acetate were added to the reaction mixture on an ice bath (0° C.), which was then filtered through a Celite pad. The organic layer of the filtrate was extracted with ethyl acetate, and that organic layer was washed with water and saturated aqueous sodium chloride, dried over anhydrous magnesium sulfate, and filtered. The filtrate was concentrated under a reduced pressure to obtain a crude product (400 mg). To a tetrahydrofuran (5.00 mL) solution of this crude product (250 mg) and 3-ethynyl-pyridin-2-ylamine described in Manufacturing Example 1-2-3 (40.0 mg, 0.339 mmol) was added triethylamine (142 μL, 1.02 mmol) at room temperature, which was stirred for 3 hours at 60° C. Water was added to the reaction solution at room temperature, which was then extracted with ethyl acetate. The organic layer was washed with saturated aqueous sodium chloride and dried over anhydrous magnesium sulfate, and the solvent was evaporated under a reduced pressure. The residue was purified by NH silica gel column chromatography (ethyl acetate:heptane=1:1), the mixture was further purified by reverse-phase high-performance liquid chromatography (using an acetonitrile-water mobile phase containing 0.1% trifluoracetic acid) to obtain the title compound (11.7 mg, 10.0%) as a ditrifluoracetic acid salt.

Aufarbeitung

  1. customThe solvent was evaporated from the reaction mixture under a reduced pressure, and anhydrous dichloromethane (15.0 ml) and anhydrous tetrahydrofuran (7.00 mL)
  2. additionwere added to the residue
  3. stirringstirred for 30 minutes at room temperature
  4. filtrationwas then filtered through a Celite pad
  5. extractionThe organic layer of the filtrate was extracted with ethyl acetate
  6. washthat organic layer was washed with water and saturated aqueous sodium chloride
  7. dry with materialdried over anhydrous magnesium sulfate
  8. filtrationfiltered
  9. concentrationThe filtrate was concentrated under a reduced pressure
  10. customto obtain a crude product (400 mg)
  11. stirringwhich was stirred for 3 hours at 60° C
  12. extractionwhich was then extracted with ethyl acetate
  13. washThe organic layer was washed with saturated aqueous sodium chloride
  14. dry with materialdried over anhydrous magnesium sulfate
  15. customthe solvent was evaporated under a reduced pressure
  16. customThe residue was purified by NH silica gel column chromatography (ethyl acetate:heptane=1:1)
  17. customthe mixture was further purified by reverse-phase high-performance liquid chromatography (
  18. additioncontaining 0.1% trifluoracetic acid)

Quellen und Nachweise

ORD-Eintrag
ord-40760cca376c48f18e25e048e6f9d2bd
Quelldatensatz
uspto-grants-2010_04
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07691882B2

Notizen zur Reaktion

Wird geladen…

Auf dieser SeiteKomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion