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Tris(1,1-dimethylethyl)phosphine → 1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indol-5-amine

HRID 1668477
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HRID 1668477 반응식
Br[C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH:11]1[CH2:17][CH:16]3[N:18]([CH3:19])[CH:13]([CH2:14][CH2:15]3)[CH2:12]1)[CH:6]=[CH:5]2.C(P(C(C)(C)C)C(C)(C)C)(C)(C)C.C[Si]([N-:37][Si](C)(C)C)(C)C.[Li+]>C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd].O1CCCC1>[CH3:19][N:18]1[CH:16]2[CH2:15][CH2:14][CH:13]1[CH2:12][CH:11]([N:7]1[C:8]3[C:4](=[CH:3][C:2]([NH2:37])=[CH:10][CH:9]=3)[CH:5]=[CH:6]1)[CH2:17]2
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참가 물질

6

반응물 3

HCID 83681Tris(1,1-dimethylethyl)phosphineHCID 2733832Lithium hexamethyldisilazaneHCID 590046405-Bromo-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indole

생성물 1

HCID 590046691-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indol-5-amine수율 89%

시약·촉매·용매 2

HCID 9811564
Bis(dibenzylideneacetone)palladium
촉매
HCID 8028Tetrahydrofuran용매2회

실험 절차

Compound 84 (73 mg, 0.2287 mmol), tris(dibenzylideneacetone)dipalladium (0) (20.9 mg, 0.0229 mmol) and anhydrous tetrahydrofuran (10 mL) were charged to a dry argon purged flask fitted with magnetic stir bar and condenser. A solution of tri-tert-butylphosphine (10 wt % in hexane, 92.5 mg, 0.0457 mmol) is added followed by dropwise addition of a 1M tetrahydrofuran solution of lithium bis(trimethylsilyl)amide (0.686 ml, 0.686 mmol) and mixture refluxed for a period of 90 minutes. The mixture was cooled to room temperature then to 0° C., quenched with 1M HCl (10 mL) and stirred for 15 minutes. The solution was diluted with ethyl acetate and conc. NH4OH added to adjust pH to 9. The mixture was transferred to a separatory funnel and the organic layer collected. The aqueous layer was further extracted with ethyl acetate and the combined organic layers were washed with brine, dried over magnesium sulphate, filtered, concentrated to yield crude. The crude amine was combined with a second crude from an identical reaction and the residue purified via chromatography on silica gel (EtOAc:methanol:Et3N, 8:1:1) to yield a brown solid 85 (52 mg, 37.6%) as a 5:1 or 1:5 mixture of endo/exo stereoisomers. 1H NMR (major isomer-DMSO-d6) δ 1.53-1.70 (m, 4H), 2.00-2.09 (m, 2H), 2.18 (s, 3H), 3.17-3.32 (m, 2H), 4.54 (quintuplet, 1H, J=8.2 Hz), 6.11 (d, 1H, J=3.1 Hz), 6.49 (dd, 1H, J=8.6, 2.1 Hz), 6.65 (d, 1H, J=1.9 Hz), 7.05 (d, 1H, J=8.7 Hz), 7.26 (d, 1H, J=3.2 Hz); ESI-MS (m/z, %): 256 (MH+, 100%).

후처리

  1. customfitted with magnetic stir bar and condenser
  2. temperaturerefluxed for a period of 90 minutes
  3. customto 0° C., quenched with 1M HCl (10 mL)
  4. additionThe solution was diluted with ethyl acetate and conc. NH4OH
  5. additionadded
  6. customThe mixture was transferred to a separatory funnel
  7. customthe organic layer collected
  8. extractionThe aqueous layer was further extracted with ethyl acetate
  9. washthe combined organic layers were washed with brine
  10. dry with materialdried over magnesium sulphate
  11. filtrationfiltered
  12. concentrationconcentrated
  13. customto yield crude
  14. customthe residue purified via chromatography on silica gel (EtOAc:methanol:Et3N, 8:1:1)

출처 및 근거

ORD 기록
ord-7b0c636bee364b30b41ace7c66cdeed8
출처 데이터셋
uspto-grants-2011_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07989447B2

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