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Tetrahydrofuran → 2-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-ol

HRID 1930087
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HRID 1930087 반응식
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:9]1[N:10]=[C:11]2[N:15]([C:16]=1[C:17]1[CH:18]=[CH:19][C:20]3[N:21]([C:23]([C:26](=[O:28])[CH3:27])=[N:24][N:25]=3)[N:22]=1)[CH:14]=[CH:13][O:12]2.[CH2:29]1COCC1.C[Mg]Cl.[NH4+].[Cl-]>C(Cl)Cl>[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:9]1[N:10]=[C:11]2[N:15]([C:16]=1[C:17]1[CH:18]=[CH:19][C:20]3[N:21]([C:23]([C:26]([OH:28])([CH3:29])[CH3:27])=[N:24][N:25]=3)[N:22]=1)[CH:14]=[CH:13][O:12]2
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참가 물질

6

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HCID 8028TetrahydrofuranHCID 25517Ammonium ChlorideHCID 579298721-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanoneHCID 178418332HCID 178418332, 화합물

생성물 1

HCID 251678402-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-ol수율 79%

시약·촉매·용매

1
HCID 6344Dichloromethane용매

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온도
-30 °C

실험 절차

Into a 100 mL round-bottomed flask was added 1-(6-(6-(2,4-difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanone (1.04 g, 2.73 mmol) and THF (20 mL) to give an off-white suspension. The reaction suspension was cooled to about −30° C. Then methylmagnesium chloride (3 M in THF, 3.65 mL, 10.9 mmol) was added over about 5 min. The reaction was stirred at about −30° C. for about 30 min. A saturated solution of NH4Cl (50 mL) was slowly added to the reaction suspension, followed by the addition of DCM (50 mL). The layers were partitioned and the aqueous solution was extracted with DCM (2×50 mL). The combined organic extracts were washed with brine, dried over MgSO4, filtered, and the solvents removed under reduced pressure to give the title compound (0.86 g, 79%). The product was combined with other product from additional reactions (7.5 g total) and the material was purified by flash chromatography (40 g RediSep® silica gel; DCM/MeOH 1:0 to 9:1) to give an off-white solid. The material was dissolved in DMSO (35 mL) at about 80° C. and then cooled to about 0° C. Then water (200 mL) was added to form a precipitate that was collected by filtration. The filter pad was washed with water and then triturated with 1-propanol using sonication and the solid collected by filtration. The solid was further triturated with 1-propanol using sonication and the solid collected by filtration and then dried in a vacuum oven at about 80° C. to give the title compound (5.05 g, 67% recovery). LC/MS (Table 1, Method g) Rt=1.78 min; MS m/z: 398.2 (M+M)+. 1H NMR (DMSO-d6) δ 8.53 (d,), 8.26 (m, 2H), 7.76 (m, 1H), 7.55-7.24 (m, 2H), 6.93 (m, 1H), 5.77 (s, 1H), 2.58-2.50 (m, 4H), 1.79 (s, 6H). mp 258-260° C.; Anal. calcd. for C19H14F2N6O2: C, 57.58; H, 3.56; N, 21.20; F, 9.59. found C, 57.42; H, 3.36; N, 21.22; F, 9.28.

후처리

  1. customto give an off-white suspension
  2. customThe layers were partitioned
  3. extractionthe aqueous solution was extracted with DCM (2×50 mL)
  4. washThe combined organic extracts were washed with brine
  5. dry with materialdried over MgSO4
  6. filtrationfiltered
  7. customthe solvents removed under reduced pressure

출처 및 근거

ORD 기록
ord-93b23f346022466b8d2956ad71bc9e4d
출처 데이터셋
uspto-grants-2012_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08188083B2

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