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Water → tert-butyl 4-(2-(7-nitro-2,3-dihydro-1H-pyrazolo[1,5-a]imidazol-1-yl)ethyl)piperidine-1-carboxylate

HRID 2089431
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HRID 2089431 반응식
[H-].[Na+].[N+:3]([C:6]1[CH:7]=[N:8][N:9]2[CH2:13][CH2:12][NH:11][C:10]=12)([O-:5])=[O:4].S(O[CH2:25][CH2:26][CH:27]1[CH2:32][CH2:31][N:30]([C:33]([O:35][C:36]([CH3:39])([CH3:38])[CH3:37])=[O:34])[CH2:29][CH2:28]1)(C1C=CC(C)=CC=1)(=O)=O.O>C1COCC1>[N+:3]([C:6]1[CH:7]=[N:8][N:9]2[CH2:13][CH2:12][N:11]([CH2:25][CH2:26][CH:27]3[CH2:28][CH2:29][N:30]([C:33]([O:35][C:36]([CH3:37])([CH3:39])[CH3:38])=[O:34])[CH2:31][CH2:32]3)[C:10]=12)([O-:5])=[O:4]
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참가 물질

6

반응물 4

HCID 962WaterHCID 24758Sodium hydride2회HCID 21936070N-Boc-4-[2-(4-Toluenesulfonyloxy)ethyl]piperidineHCID 1358007277-nitro-2,3-dihydro-1H-imidazo[1,2-b]pyrazole

생성물 1

HCID 58464885tert-butyl 4-(2-(7-nitro-2,3-dihydro-1H-pyrazolo[1,5-a]imidazol-1-yl)ethyl)piperidine-1-carboxylate수율 17%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매2회

실험 절차

Sodium hydride (60% dispersion in mineral oil, 39 mg, 0.97 mmol) was added portionwise to a stirred solution of 7-nitro-2,3-dihydro-1H-pyrazolo[1,5-a]imidazole (0.125 g, 0.81 mmol) in anhydrous THF (10 mL) at room temperature under a nitrogen atmosphere. The mixture was stirred for 10 min. before a solution of tert-butyl 4-(2-(tosyloxy)ethyl)piperidine-1-carboxylate (0.31 g, 0.81 mmol) in THF (5 mL) was added portionwise over 10 min. The reaction was stirred for 6 hr at room temperature followed by 18 hr at 50° C. Further sodium hydride (60% dispersion in mineral oil, 39 mg, 0.97 mmol) was added and stirring continued at 60° C. for a further 24 h. The reaction was cooled and water was added dropwise. The mixture was extracted with EtOAc and the combined organics were dried over MgSO4 and concentrated under reduced pressure. The crude residue was purified via silica gel chromatography (0-100% EtOAc/isohexane) to give tert-butyl 4-(2-(7-nitro-2,3-dihydro-1H-pyrazolo[1,5-a]imidazol-1-yl)ethyl)piperidine-1-carboxylate as a yellow oil (50 mg, 17%). 1H NMR (400 MHz, CDCl3) δ 7.83 (s, 1H), 4.24-4.16 (m, 2H), 4.25-3.97 (m, 2H), 3.83-3.77 (s, 2H), 3.27 (s, 2H), 3.22 (t, J=6.8 Hz, 2H), 2.72-2.62 (s, 2H), 1.73-1.65 (m, 3H), 1.46-1.44 (m, 9H) 1.40-1.05 (m, 2H)

후처리

  1. additionwas added portionwise over 10 min
  2. waitfollowed by 18 hr at 50° C
  3. stirringstirring
  4. waitcontinued at 60° C. for a further 24 h
  5. temperatureThe reaction was cooled
  6. extractionThe mixture was extracted with EtOAc
  7. dry with materialthe combined organics were dried over MgSO4
  8. concentrationconcentrated under reduced pressure
  9. customThe crude residue was purified via silica gel chromatography (0-100% EtOAc/isohexane)

출처 및 근거

ORD 기록
ord-e2dee70106984043bf92b63f466fd6d8
출처 데이터셋
uspto-grants-2013_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08436001B2

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