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Acetonitrile → Azetidine urea derivative 2

HRID 1396024
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HRID 1396024 반응식
C(O)=O.[Cl:4][C:5]1[CH:24]=[CH:23][C:8]([O:9][C:10]2[CH:11]=[C:12]([CH:20]=[CH:21][CH:22]=2)[O:13][CH2:14][CH2:15][CH:16]2[CH2:19][NH:18][CH2:17]2)=[CH:7][CH:6]=1.CC#N.C1([O:34][C:35](=O)[NH:36][C:37]2[N:41]3[N:42]=[CH:43][CH:44]=[CH:45][C:40]3=[N:39][CH:38]=2)C=CC=CC=1>CCOC(C)=O>[N:39]1[CH:38]=[C:37]([NH:36][C:35]([N:18]2[CH2:17][CH:16]([CH2:15][CH2:14][O:13][C:12]3[CH:20]=[CH:21][CH:22]=[C:10]([O:9][C:8]4[CH:7]=[CH:6][C:5]([Cl:4])=[CH:24][CH:23]=4)[CH:11]=3)[CH2:19]2)=[O:34])[N:41]2[C:40]=1[CH:45]=[CH:44][CH:43]=[N:42]2
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참가 물질

5

반응물 3

HCID 6342AcetonitrileHCID 58442681Imidazo[1,2-b]pyridazin-3-yl-carbamic acid phenyl esterHCID 669740783-{2-[3-(4-Chloro-phenoxy)-phenoxy]-ethyl}-azetidine formic acid salt

생성물 1

HCID 49839765Azetidine urea derivative 2수율 58%

시약·촉매·용매 1

HCID 8857Ethyl Acetate용매

실험 절차

To a solution consisting of 3-{2-[3-(4-chloro-phenoxy)-phenoxy]-ethyl}-azetidine formic acid salt (0.040 g, 0.13 mmol), TEA (0.018 mL, 0.13 mmol) and CH3CN (1.0 mL) was added imidazo[1,2-b]pyridazin-3-yl-carbamic acid phenyl ester (0.034 g, 0.13 mmol). The reaction mixture was stirred at room temperature for 16 h, then diluted with EtOAc (40 mL) and washed with saturated aq. NaHCO3 (40 mL). The organic layer was dried (Na2SO4) and concentrated. The crude residue was purified (FCC) to give the title compound (0.035 g, 57%). MS (ESI+): calcd. for C24H22ClN5O3, 463.14. m/z found, 464.1 (M+H)+. 1H NMR (d6-DMSO): 8.55 (s, 1H), 8.52 (d, J=4.4 Hz, 1H), 8.06 (d, J=9.2 Hz, 1H), 7.64 (s, 1H), 7.43 (d, J=7.3 Hz, 2H), 7.29 (t, J=8.2 Hz, 1H), 7.19-7.15 (m, 1H), 7.04 (d, J=7.4 Hz, 2H), 6.75 (d, J=8.3 Hz, 1H), 6.61-6.55 (m, 2H), 4.09 (t, J=8.1 Hz, 2H), 3.99 (t, J=6.1 Hz, 2H), 3.77-3.66 (m, 2H), 2.83-2.69 (m, 1H), 2.10-2.01 (m, 2H).

후처리

  1. washwashed with saturated aq. NaHCO3 (40 mL)
  2. dry with materialThe organic layer was dried (Na2SO4)
  3. concentrationconcentrated
  4. customThe crude residue was purified (FCC)

출처 및 근거

ORD 기록
ord-985a010ef28742829afa7fcdd681ecd7
출처 데이터셋
uspto-grants-2014_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08901111B2

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