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

HRID 128838
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HRID 128838 반응식
[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
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참가 물질

7

반응물 5

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

생성물 1

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

시약·촉매·용매

1
HCID 8028Tetrahydrofuran용매

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온도
25 °C

실험 절차

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.

후처리

  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

출처 및 근거

ORD 기록
ord-6101b0d5eff9497d9ea80e868ced8081
출처 데이터셋
uspto-grants-1995_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05464861

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