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Lithium Hydroxide → HCID 44132901, 화합물

HRID 875962
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HRID 875962 반응식
C([O:4][CH2:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:15]=[N:16][C:17]([NH:20][C:21]3[N:22]=[CH:23][C:24]4[C:29]5[CH:30]=[CH:31][N:32]=[CH:33][C:28]=5[N:27]([CH:34]5[CH2:38][CH2:37][CH2:36][CH2:35]5)[C:25]=4[N:26]=3)=[CH:18][CH:19]=2)[CH2:10][CH2:9]1)=[O:7])(=O)C.[Li+].[OH-]>C1COCC1.CO.O>[CH:34]1([N:27]2[C:25]3[N:26]=[C:21]([NH:20][C:17]4[N:16]=[CH:15][C:14]([N:11]5[CH2:12][CH2:13][N:8]([C:6](=[O:7])[CH2:5][OH:4])[CH2:9][CH2:10]5)=[CH:19][CH:18]=4)[N:22]=[CH:23][C:24]=3[C:29]3[CH:30]=[CH:31][N:32]=[CH:33][C:28]2=3)[CH2:35][CH2:36][CH2:37][CH2:38]1
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참가 물질

4

반응물 2

HCID 3939Lithium HydroxideHCID 58299757HCID 58299757, 화합물

생성물 1

HCID 44132901HCID 44132901, 화합물수율 63.5%

시약·촉매·용매 1

HCID 21892291Methanol tetrahydrofuran water용매

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온도
60 °C

실험 절차

To a solution of compound 189 (˜0.5 mmol) in THF/methanol/H2O (3:1:1, 10 mL) was added 12 mg of LiOH and the mixture was stirred at 60° C. overnight. The reaction mixture was concentrated and the residue was dissolved in dichloromethane then washed with water and brine then dried. The solvent was evaporated and the residue was purified by chromatography on silica gel eluting with CH2Cl2:methanol:NH4OH (400:10:1) to give compound 188 as a yellow solid (150 mg, 63% in two steps). 1H NMR (500 MHz, DMSO-d6) δ 9.82 (1H, s), 9.27 (1H, s), 9.01 (1H, s), 8.44 (1H, d, J=5 Hz), 8.21 (1H, d, J=10 Hz), 8.07 (1H, d, J=2 Hz), 8.04 (1H, d, J=5 Hz), 7.52 (1H, dd, J=10 Hz, J=2 Hz), 5.37 (1H, p, J=10 Hz), 4.65 (1H, t, J=5 Hz), 4.15 (2H, d, J=5 Hz), 3.65 (2H, m), 3.53 (2H, m), 3.15 (4H, m), 2.40 (2H, m), 2.08 (4H, m), 1.78 (2H, m) ppm; LCMS-ESI (POS), M/Z, M+1: Found 472.2, Calculated 472.3.

후처리

  1. concentrationThe reaction mixture was concentrated
  2. dissolutionthe residue was dissolved in dichloromethane
  3. washthen washed with water and brine
  4. customthen dried
  5. customThe solvent was evaporated
  6. customthe residue was purified by chromatography on silica gel eluting with CH2Cl2:methanol:NH4OH (400:10:1)

출처 및 근거

ORD 기록
ord-4aa9dd0817a84ecca261b4517db3378a
출처 데이터셋
uspto-grants-2015_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08980903B2

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