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Chloroform → HCID 57515389, 화합물

HRID 1469241
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HRID 1469241 반응식
Cl.Cl.[NH2:3][C:4]1[C:13]2[N:14]=[C:15]([CH2:25][O:26][CH2:27][CH3:28])[N:16]([CH2:17][C:18]3([OH:24])[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]3)[C:12]=2[C:11]2[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=2[N:5]=1.C(Cl)(Cl)Cl.C(N(CC)CC)C.[CH3:40][S:41](Cl)(=[O:43])=[O:42]>CN(C)C=O.N1C=CC=CC=1>[NH2:3][C:4]1[C:13]2[N:14]=[C:15]([CH2:25][O:26][CH2:27][CH3:28])[N:16]([CH2:17][C:18]3([OH:24])[CH2:19][CH2:20][N:21]([S:41]([CH3:40])(=[O:43])=[O:42])[CH2:22][CH2:23]3)[C:12]=2[C:11]2[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=2[N:5]=1
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참가 물질

7

반응물 4

HCID 6212ChloroformHCID 8471Triethylamine3회HCID 31297Methanesulfonyl chloride3회HCID 575153874-{[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]methyl}piperidin-4-ol dihydrochloride

생성물 1

HCID 57515389HCID 57515389, 화합물수율 36%

시약·촉매·용매 2

HCID 1049
Pyridine
용매
HCID 6228Dimethylformamide용매

실험 절차

To the 1.5 hydrate of 4-{[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]methyl}piperidin-4-ol dihydrochloride (1.00 g, 2.20 mmol, prepared in a similar manner as described in Example 5) was added chloroform (150 mL) and triethylamine (1.1 mL, 7.7 mmol). The starting material did not completely dissolve. To the mixture was added methanesulfonyl chloride (MeSO2Cl, 0.19 mL, 2.42 mmol) and more triethylamine (0.3 mL). After 4 h at rt, more MeSO2Cl (0.06 mL) and triethylamine (0.3 mL) were added and the mixture was stirred overnight. Pyridine (20 mL) and dimethylformamide (DMF, 20 mL) were added, followed by MeSO2Cl (0.06 mL). To the mixture was added methanesulfonyl anhydride (115 mg) and the mixture was allowed to stand for 2 d. The mixture was filtered, and the filtrate was concentrated to approximately 25 mL, which was diluted with chloroform (400 mL) and extracted with 1 M NaOH (2×150 mL), water (150 mL), and brine (200 mL). The organic phase was dried over Na2SO4, filtered, and concentrated to a yellow oil. The crude product was purified by flash chromatography (silica gel, eluted with 1% CMA/CHCl3 where CMA is a solution comprised of 80:18:2 chloroform/methanol/concentrated ammonium hydroxide) to afford 4-{[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]methyl}-1-(methylsulfonyl)piperidin-4-ol as a white solid (0.34 g, 36%) after drying at 60° C. under reduced pressure, mp 254-256° C. 1H NMR (300 MHz, DMSO-d6) δ 8.35 (dm, J=8.4 Hz, 1H), 7.59 (dd, J=8.4, 1.4 Hz, 1H), 7.41 (m, 1H), 7.23 (m, 1H), 6.57 (br s, 2H), 5.16-4.60 (br m, 4H), 5.05 (s, 1H), 3.53 (q, J=7.0 Hz, 2H), 3.37-3.27 (br s, 2H), 2.89-2.79 (m, 2H), 2.81 (s, 3H), 1.93-1.78 (m, 2H), 1.62-1.29 (br s, 2H), 1.14 (t, J=7.0 Hz, 3H); MS (APCI) m/z 434 (M+H)+; Anal. calcd for C20H27N5O4S: C, 55.41; H, 6.28; N, 16.15; S, 7.40. Found: C, 55.21; H, 6.11; N, 16.35; S, 7.37.

후처리

  1. dissolutionThe starting material did not completely dissolve
  2. waitto stand for 2 d
  3. filtrationThe mixture was filtered
  4. concentrationthe filtrate was concentrated to approximately 25 mL, which
  5. additionwas diluted with chloroform (400 mL)
  6. extractionextracted with 1 M NaOH (2×150 mL), water (150 mL), and brine (200 mL)
  7. dry with materialThe organic phase was dried over Na2SO4
  8. filtrationfiltered
  9. concentrationconcentrated to a yellow oil
  10. customThe crude product was purified by flash chromatography (silica gel
  11. washeluted with 1% CMA/CHCl3 where CMA

출처 및 근거

ORD 기록
ord-cabe7267d59e46998af72990a6204126
출처 데이터셋
uspto-grants-2015_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09006264B2

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