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Hexane → 2-((2-(6-Amino-3,4-dihydroquinolin-1(2H)-yl)ethyl)(methyl)amino)ethanol

HRID 1922496
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HRID 1922496 반응식
C(P(C(C)(C)C)C(C)(C)C)(C)(C)C.CCCCCC.Br[C:21]1[CH:22]=[C:23]2[C:28](=[CH:29][CH:30]=1)[N:27]([CH2:31][CH2:32][N:33]([CH3:37])[CH2:34][CH2:35][OH:36])[CH2:26][CH2:25][CH2:24]2.C[Si]([N-:42][Si](C)(C)C)(C)C.[Li+]>C1COCC1.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]>[NH2:42][C:21]1[CH:22]=[C:23]2[C:28](=[CH:29][CH:30]=1)[N:27]([CH2:31][CH2:32][N:33]([CH3:37])[CH2:34][CH2:35][OH:36])[CH2:26][CH2:25][CH2:24]2
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참가 물질

7

반응물 4

HCID 8058HexaneHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 2733832Lithium hexamethyldisilazaneHCID 573433972-((2-(6-Bromo-3,4-dihydroquinolin-1(2H)-yl)ethyl)(methyl)amino)ethanol2회

생성물 1

HCID 598071132-((2-(6-Amino-3,4-dihydroquinolin-1(2H)-yl)ethyl)(methyl)amino)ethanol수율 43.4%

시약·촉매·용매 2

HCID 9811564Bis(dibenzylideneacetone)palladium촉매
HCID 8028Tetrahydrofuran용매2회

실험 절차

A suspension of tris(dibenzylideneacetone)dipalladium(0) (48 mg, 0.053 mmol) in anhydrous THF (3 mL) was treated with tri-t-butylphosphine in hexane (10% wt) (0.320 mL, 0.105 mmol) and the mixture stirred for 5 minutes at room temperature. A solution of 2-((2-(6-bromo-3,4-dihydroquinolin-1(2H)-yl)ethyl)(methyl)amino)ethanol (compound 2, 0.165 g, 0.527 mmol) in THF (7 mL) was added followed by lithium bis(trimethylsilyl)amide (1M in THF, 1.58 mL, 1.58 mmol) and the mixture heated in a sealed reaction vial at 90° C. for 3 hours. The mixture was cooled to room temperature then to 0° C. and quenched with 3N aq. HCl (1.5 mL) and stirred for 30 minutes slowly warming to room temperature. The mixture was diluted with ethyl acetate, basified to pH ˜10 by the addition of 1N aq NaOH and transferred to a separatory funnel. The organic layer was separated and the aqueous layer further extracted with ethyl acetate (×3) and the combined organic layers washed with brine, dried over Na2SO4, filtered and concentrated to give a dark brown residue. Purification on silica gel eluting with 7.5% 2M NH3 in methanol/92.5% dichloromethane yielded an orange-red residue, 3 (57 mg, 43.4%). 1H-NMR (DMSO-d6) δ 6.36-6.27 (m, 2H), 6.21 (br s, 1H), 4.31 (t, 1H, J=5.4 Hz, exch. D2O), 4.18 (br s, 2H, exch. D2O), 3.44 (q, 2H, J=6.3 Hz), 3.18 (t, 2H, J=7.3 Hz), 3.10 (t, 2H, J=5.3 Hz), 2.56-2.40 (2×m, 6H), 2.22 (s, 3H), 1.84-1.72 (m, 2H). MS (ESI+): 250 (MH+, 100).

후처리

  1. temperaturethe mixture heated in a sealed reaction vial at 90° C. for 3 hours
  2. temperatureThe mixture was cooled to room temperature
  3. customto 0° C. and quenched with 3N aq. HCl (1.5 mL)
  4. stirringstirred for 30 minutes
  5. temperatureslowly warming to room temperature
  6. additionThe mixture was diluted with ethyl acetate
  7. additionbasified to pH ˜10 by the addition of 1N aq NaOH
  8. customtransferred to a separatory funnel
  9. customThe organic layer was separated
  10. extractionthe aqueous layer further extracted with ethyl acetate (×3)
  11. washthe combined organic layers washed with brine
  12. dry with materialdried over Na2SO4
  13. filtrationfiltered
  14. concentrationconcentrated
  15. customto give a dark brown residue
  16. customPurification on silica gel eluting with 7.5% 2M NH3 in methanol/92.5% dichloromethane

출처 및 근거

ORD 기록
ord-6dc971c0d0364563bb244839c2f09883
출처 데이터셋
uspto-grants-2012_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08173813B2

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