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Formaldehyde → 3-(1,1-dimethylethyl)-6-fluoro-1-methyl-9-(methyloxy)-5-{3-methyl-4-[(phenylmethyl)oxy]phenyl}-8-{[(1-methylpiperidin-4-yl)methyl]oxy}-3H-pyrazolo[3,4-c]isoquinoline

HRID 253289
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 253289
[CH3:1][C:2]([N:5]1[C:9]2[N:10]=[C:11]([C:29]3[CH:34]=[CH:33][C:32]([O:35][CH2:36][C:37]4[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=4)=[C:31]([CH3:43])[CH:30]=3)[C:12]3[C:13]([F:28])=[CH:14][C:15]([O:20][CH2:21][CH:22]4[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]4)=[C:16]([O:18][CH3:19])[C:17]=3[C:8]=2[C:7]([CH3:44])=[N:6]1)([CH3:4])[CH3:3].Cl[CH:46](Cl)C.C=O.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(Cl)Cl.O>[CH3:4][C:2]([N:5]1[C:9]2[N:10]=[C:11]([C:29]3[CH:34]=[CH:33][C:32]([O:35][CH2:36][C:37]4[CH:38]=[CH:39][CH:40]=[CH:41][CH:42]=4)=[C:31]([CH3:43])[CH:30]=3)[C:12]3[C:13]([F:28])=[CH:14][C:15]([O:20][CH2:21][CH:22]4[CH2:23][CH2:24][N:25]([CH3:46])[CH2:26][CH2:27]4)=[C:16]([O:18][CH3:19])[C:17]=3[C:8]=2[C:7]([CH3:44])=[N:6]1)([CH3:1])[CH3:3]
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Komponenten

7

Edukt 4

HCID 712FormaldehydeHCID 63651,1-DichloroethaneHCID 5049666Sodium triacetoxyborohydrideHCID 668916363-(1,1-dimethylethyl)-6-fluoro-1-methyl-9-(methyloxy)-5-{3-methyl-4-[(phenylmethyl)oxy]phenyl}-8-[(piperidin-4-ylmethyl)oxy]-3H-pyrazolo[3,4-c]isoquinoline

Produkt 1

HCID 66890798
3-(1,1-dimethylethyl)-6-fluoro-1-methyl-9-(methyloxy)-5-{3-methyl-4-[(phenylmethyl)oxy]phenyl}-8-{[(1-methylpiperidin-4-yl)methyl]oxy}-3H-pyrazolo[3,4-c]isoquinoline
Ausbeute 52 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 962WaterLösungsmittelHCID 6344DichloromethaneLösungsmittel

Versuchsvorschrift

To 3-(1,1-dimethylethyl)-6-fluoro-1-methyl-9-(methyloxy)-5-{3-methyl-4-[(phenylmethyl)oxy]phenyl}-8-[(piperidin-4-ylmethyl)oxy]-3H-pyrazolo[3,4-c]iso-quinoline (159 mg, 0.26 mmol) was added dichloroethane (2 mL), 37% aqueous formaldehyde (40 μL, 0.52 mmol), and sodium triacetoxyborohydride (110 mg, 0.52 mmol). The mixture was stirred for 1 h at rt. Water and CH2Cl2 were added, and the layers were partitioned. The aqueous phase was extracted with CH2Cl2. The organic extracts were combined, dried over magnesium sulfate, filtered, and concentrated in vacuo. The crude residue was purified by flash chromatography (90% CH2Cl2, 10% methanol) to provide 83.1 mg of To 3-(1,1-dimethylethyl)-6-fluoro-1-methyl-9-(methyloxy)-5-{3-methyl-4-[(phenylmethyl)oxy]phenyl}-8-{[(1-methylpiperidin-4-yl)methyl]oxy}-3H-pyrazolo[3,4-c]isoquinoline (0.136 mmol, 52% yield) as a yellow film. 1H NMR (400 MHz, CDCl3): δ 7.49-7.32 (m, 7H), 6.96 (d, 1H), 6.81 (d, 1H), 5.15 (s, 2H), 3.98 (d, 2H), 3.89 (s, 3H), 3.10 (d, 2H), 2.87 (s, 3H), 2.40 (s, 3H), 2.36 (s, 3H), 2.17 (br t, 2H), 2.03-1.96 (m, 3H), 1.84 (s, 9H), 1.62 (m, 2H); MS (EI) for C37H43FN4O3: 611 (MH+).

Aufarbeitung

  1. customthe layers were partitioned
  2. extractionThe aqueous phase was extracted with CH2Cl2
  3. dry with materialdried over magnesium sulfate
  4. filtrationfiltered
  5. concentrationconcentrated in vacuo
  6. customThe crude residue was purified by flash chromatography (90% CH2Cl2, 10% methanol)

Quellen und Nachweise

ORD-Eintrag
ord-9b956136d38344879fdaaa4e314ce423
Quelldatensatz
uspto-grants-2011_01
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07872014B2

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