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Isopropyl iodide → 4-(2-Isopropoxyphenyl)piperidine

HRID 1057667
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HRID 1057667 반응식
C(OC([N:8]1[CH2:13][CH2:12][CH:11]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=2[OH:20])[CH2:10][CH2:9]1)=O)(C)(C)C.[CH3:21][C:22](C)([O-])[CH3:23].[K+].IC(C)C>C1COCC1>[CH3:21][CH:22]([O:20][C:15]1[CH:16]=[CH:17][CH:18]=[CH:19][C:14]=1[CH:11]1[CH2:10][CH2:9][NH:8][CH2:13][CH2:12]1)[CH3:23]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 6362Isopropyl iodideHCID 17174861Tert-butyl 4-(2-hydroxyphenyl)piperidine-1-carboxylateHCID 23665647Potassium tert-butoxide2회

생성물 1

HCID 105368744-(2-Isopropoxyphenyl)piperidine수율 65.8%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

To a solution of 1-(tert-Butyloxycarbonyl)-4-(2-hydroxyphenyl)piperidine 5a (5 g) in dry THF (100 ml) was added potassium tert-butoxide (2.2 g). After stirring for 5 minutes 2-iodopropane (9 g) was added and the mixture was refluxed for 3 hours. Additionally 1.1 g of potassium tert-butoxide was added and reflux was continued overnight. After cooling to room temperature inorganic salts were filtered off and the solvents evaporated in vacuo. The remaining oil was purified by filtering through silica gel (eluted with a 7:3 mixture of heptane and ethyl acetate). Yield: 4.5 g of 1-(tert-butyloxycarbonyl)-4-[2-(2-propyloxy)phenyl]piperidine all of which was dissolved in a mixture of dichloromethane (90 ml) and trifluoroacetic acid (40 ml). After stirring for one hour at room temperature all volatile material was evaporated in vacuo. To the remaining oil was added ethyl acetate (200 ml) and water (200 ml). pH was adjusted to >10 by addition of diluted aqueous NH4OH. The organic phase was separated and washed with brine (2×50 ml). Work-up of the organic phase as above yielded 2.6 g of 4-[2-(2-propyloxy)phenyl]piperidine. A mixture of the thus isolated 1-unsubstituted piperidine (2.5 g), 1-(4-chloro-1-butyl)-3-(4-fluorophenyl)-2-imidazolidinone 2a (3.0 g), potassium carbonate (1.6 g), and potassium iodide (0.5 g) in MIBK (50 ml) was refluxed overnight. Inorganic salts were filtered off and MIBK evaporated in vacuo. The remaining crude product was purified by column chromatography on silica gel (eluted with 4% triethylamine in ethyl acetate). Pure title compound 6a crystallized from ethyl acetate. Yield: 2.6 g, mp: 130-131° C. 1H NMR (CDCl3) δ 1.45 (d, 6H); 1.60 (t, 4H); 1.70-1.90 (m, 4H); 2.00-2.15 (m, 2H); 2.40 (t, 2H); 2.90-3.05 (m, 3H); 3.35 (t, 2H); 3.45 (t, 2H); 3.75 (t, 2H); 4.55 (h, 2H); 6.80-6.90 (m, 2H); 7.00 (t, 2H); 7.10 (dt, 1H); 7.15 (dd, 1H); 7.50 (dd, 2H).

후처리

  1. additionwas added
  2. temperaturethe mixture was refluxed for 3 hours
  3. temperaturereflux
  4. filtrationwere filtered off
  5. customthe solvents evaporated in vacuo
  6. customThe remaining oil was purified
  7. filtrationby filtering through silica gel (
  8. washeluted with a 7:3 mixture of heptane and ethyl acetate)
  9. dissolutionYield: 4.5 g of 1-(tert-butyloxycarbonyl)-4-[2-(2-propyloxy)phenyl]piperidine all of which was dissolved in a mixture of dichloromethane (90 ml) and trifluoroacetic acid (40 ml)
  10. customwas evaporated in vacuo
  11. additionTo the remaining oil was added ethyl acetate (200 ml) and water (200 ml)
  12. additionpH was adjusted to >10 by addition of diluted aqueous NH4OH
  13. customThe organic phase was separated
  14. washwashed with brine (2×50 ml)

출처 및 근거

ORD 기록
ord-e4b6131134924cafbcc8947003425bf5
출처 데이터셋
uspto-grants-2003_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06514993B1

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