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Benzylamine → (R)-N-(phenylmethyl)-alpha-[(trifluoroacetyl)amino]-1H-indole-3-propanamide

HRID 128838
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 128838
[C:1]([NH2:7])([C:3]([F:6])([F:5])[F:4])=[O:2].N[C@@H:9]([C:20]([OH:22])=O)[CH2:10][C:11]1[C:19]2[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=2)[NH:13][CH:12]=1.ON1C2C=CC=CC=2N=N1.C1(N=C=NC2CCCCC2)CCCCC1.[CH2:48]([NH2:55])[C:49]1[CH:54]=[CH:53][CH:52]=[CH:51][CH:50]=1>C1COCC1>[C:49]1([CH2:48][NH:55][C:20](=[O:22])[C@H:9]([NH:7][C:1](=[O:2])[C:3]([F:6])([F:5])[F:4])[CH2:10][C:11]2[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=3)[NH:13][CH:12]=2)[CH:54]=[CH:53][CH:52]=[CH:51][CH:50]=1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 5

HCID 7504BenzylamineHCID 9060D-TryptophanHCID 10868DicyclohexylcarbodiimideHCID 67717TrifluoroacetamideHCID 757711-Hydroxybenzotriazole

Produkt 1

HCID 10786557(R)-N-(phenylmethyl)-alpha-[(trifluoroacetyl)amino]-1H-indole-3-propanamide
Ausbeute 66 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028TetrahydrofuranLösungsmittel

Reaktionsbedingungen

Temperatur
25 °C

Versuchsvorschrift

An ice-cold solution of 15 g (50 mmol) of the N-trifluoroacetamide of D-tryptophan, synthesized by methods previously outlined (J. Org. Chem. 1979;44:2805-2807) in 50 mL of THF under N2 was treated sequentially with 7.1 g (52.5 mmol) of 1-hydroxybenzo-triazole then 10.83 g (52.5 mmol) of 1,3-dicyclohexylcarbodiimide. After 15 minutes, the solution was treated with 5.74 mL (52.6 mmol) of benzylamine. The solution was maintained at 0°-5° C. for 1 hour, then let warm to 25° C. overnight. The mixture was filtered and the collected solids were washed with ethyl acetate. The filtrate was concentrated to an oil that was dissolved in 250 mL of ethyl acetate. The solution was washed sequentially with 250 mL portions of 10% aqueous acetic acid, water, 5% aqueous sodium hydrogen carbonate, water and brine, then dried (NaSO4 ), and concentrated to a solid. Crystallization from 170 mL of 65:35 2-propanol:petroleum ether afforded 12.81 g (66% ) of (R)-N-(phenylmethyl)-α-[(trifluoroacetyl)amino]-1H-indole-3-propanamide [II: R1 =H, R2 =CH2CH(NHCOCF3)CONHCH2Ph, R3 =H] as an off-white solid which was used directly in the next reaction; mp 186°-188° C.

Aufarbeitung

  1. temperatureThe solution was maintained at 0°-5° C. for 1 hour
  2. filtrationThe mixture was filtered
  3. washthe collected solids were washed with ethyl acetate
  4. concentrationThe filtrate was concentrated to an oil that
  5. dissolutionwas dissolved in 250 mL of ethyl acetate
  6. washThe solution was washed sequentially with 250 mL portions of 10% aqueous acetic acid, water, 5% aqueous sodium hydrogen carbonate, water and brine
  7. dry with materialdried (NaSO4 )
  8. concentrationconcentrated to a solid
  9. customCrystallization from 170 mL of 65:35 2-propanol

Quellen und Nachweise

ORD-Eintrag
ord-6101b0d5eff9497d9ea80e868ced8081
Quelldatensatz
uspto-grants-1995_11
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US05464861

Notizen zur Reaktion

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