Toluene → HCID 136348773, Verbindung

HRID 1663301Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 1663301
[CH3:1][C@H:2]1[C@@:41]2([OH:43])[O:42][CH:5]([CH2:6][C@H:7]([O:68][CH3:69])[C:8]([CH3:67])=[CH:9][CH:10]=[CH:11][CH:12]=[CH:13][C@@H:14]([CH3:66])[CH2:15][C@@H:16]([CH3:65])[C:17]([C@H:19]([O:63][CH3:64])[C@H:20]([OH:62])[C:21]([CH3:61])=[CH:22][C@@H:23]([CH3:60])[C:24]([CH2:26][C@@H:27]([C@@H:44]([CH2:46][C@H:47]3[CH2:52][C@@H:51]([O:53][CH3:54])[C@@H:50]([N:55]4[N:59]=[N:58][N:57]=[CH:56]4)[CH2:49][CH2:48]3)[CH3:45])[O:28][C:29]([C@H:31]3[N:36]([C:37]([C:39]2=[O:40])=[O:38])[CH2:35][CH2:34][CH2:33][CH2:32]3)=[O:30])=[O:25])=[O:18])[CH2:4][CH2:3]1.C1(C)C=CC=CC=1>CO>[CH3:1][C@H:2]1[C@@:41]2([OH:43])[O:42][CH:5]([CH2:6][C@H:7]([O:68][CH3:69])[C:8]([CH3:67])=[CH:9][CH:10]=[CH:11][CH:12]=[CH:13][C@@H:14]([CH3:66])[CH2:15][C@@H:16]([CH3:65])[C:17]([C@H:19]([O:63][CH3:64])[C@H:20]([OH:62])[C:21]([CH3:61])=[CH:22][C@@H:23]([CH3:60])[C:24]([CH2:26][C@@H:27]([C@@H:44]([CH2:46][C@H:47]3[CH2:52][C@@H:51]([O:53][CH3:54])[C@@H:50]([N:55]4[N:59]=[N:58][N:57]=[CH:56]4)[CH2:49][CH2:48]3)[CH3:45])[O:28][C:29]([C@H:31]3[N:36]([C:37]([C:39]2=[O:40])=[O:38])[CH2:35][CH2:34][CH2:33][CH2:32]3)=[O:30])=[O:25])=[O:18])[CH2:4][CH2:3]1.[CH3:17][OH:18]

Komponenten

4

Edukt 2

HCID 1140TolueneHCID 52945214HCID 52945214, Verbindung

Produkt 1

HCID 136348773HCID 136348773, Verbindung

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 887MethanolLösungsmittel

Versuchsvorschrift

Crystals of ABT-578 methanol solvate were prepared by dissolving 93 mg of amorphous ABT-578 in 200 uL of methanol at ambient temperature and storing at −12 degrees Celsius for 30 hours before seeded with a trace amount of toluene solvate crystals. Crystalline solids formed after seeding by further incubation at −12 degrees Celcius. FIGS. 13A and 13B show the X-ray powder diffraction patterns of the solvate crystals and the desolvated solvate, respectively. The desolvated crystals were obtained by allowing solvate crytals equilibrate at ambient temperature followed by further drying at 30 degrees Celsius under vacuum (approximately 3 inches of mercury).

Aufarbeitung

  1. customCrystalline solids formed
  2. customafter seeding by further incubation at −12 degrees
  3. customThe desolvated crystals were obtained
  4. customequilibrate at ambient temperature
  5. customby further drying at 30 degrees Celsius under vacuum (approximately 3 inches of mercury)

Quellen und Nachweise

ORD-Eintrag
ord-e6621f29bbcd4337a1fb9a8fe20c4092
Quelldatensatz
uspto-grants-2011_10
Patentnummer
US08034926B2

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