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O-Phenylenediamine → 3-(1H-benzo[d]imidazol-2-yl)-5-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

HRID 1047527
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HRID 1047527 반응식
[N+:1]([C:4]1[CH:5]=[C:6]2[C:10](=[CH:11][CH:12]=1)[N:9]([CH:13]1[CH2:18][CH2:17][CH2:16][CH2:15][O:14]1)[N:8]=[C:7]2[CH:19]=O)([O-:3])=[O:2].[C:21]1([NH2:28])[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=1[NH2:27].S(=O)(O)[O-].[Na+]>C1COCC1.Cl.C(OCC)(=O)C>[NH:27]1[C:22]2[CH:23]=[CH:24][CH:25]=[CH:26][C:21]=2[N:28]=[C:19]1[C:7]1[C:6]2[C:10](=[CH:11][CH:12]=[C:4]([N+:1]([O-:3])=[O:2])[CH:5]=2)[N:9]([CH:13]2[CH2:18][CH2:17][CH2:16][CH2:15][O:14]2)[N:8]=1
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참가 물질

7

반응물 3

HCID 7243O-PhenylenediamineHCID 23665763Sodium BisulfiteHCID 866732115-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole-3-carbaldehyde

생성물 1

HCID 1363522443-(1H-benzo[d]imidazol-2-yl)-5-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole수율 50%

시약·촉매·용매 3

HCID 313Hydrochloric Acid촉매
HCID 8028
Tetrahydrofuran
용매
HCID 8857Ethyl Acetate용매

실험 절차

5-Nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole-3-carbaldehyde (100 mg, 0.363 mmol) and o-phenylene diamine (40 mg, 0.369 mmol) were dissolved in dry THF (8 mL), and 2N HCl (1 drop) was added. The solution was heated at a gentle reflux for 30 min and then 1N sodium bisulfite (1 mL) was added. After overnight at reflux, the solution was cooled to room temperature, and diluted with ethyl acetate (40 mL). The mixture was washed with water and brine, dried over Na2SO4, and concentrated. Purification by flash chromatography (20% ethyl acetate/hexane) afforded the title compound as a pale yellow solid in a 50% yield. 1H NMR (400 MHz, CDCl3): δ 9.82 (s, 1H), 9.60 (d, 1H, J=2.4 Hz), 8.30 (dd, 1H, J=2.0 & 9.2 Hz), 7.87 (m, 1H), 7.66 (d, 1H, J=9.2 Hz), 7.47 (m, 1H), 7.28 (m, 2H), 5.77 (dd, 1H, J=2.4 and 8.8 Hz), 4.00 (m, 1H), 3.76 (m, 1H), 2.53 (m, 1H), 2.13 (m, 2H), 1.77 (m, 3H).

후처리

  1. temperatureThe solution was heated at
  2. temperaturea gentle reflux for 30 min
  3. temperatureAfter overnight at reflux
  4. washThe mixture was washed with water and brine
  5. dry with materialdried over Na2SO4
  6. concentrationconcentrated
  7. customPurification by flash chromatography (20% ethyl acetate/hexane)

출처 및 근거

ORD 기록
ord-f62f5609eb854a14ab6804322b4d1bbd
출처 데이터셋
uspto-grants-2013_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08569511B2

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