Toluene → HCID 136348773, Verbindung

HRID 1661092Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 1661092
[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-8e7af0a19fc1411a8940ddd30c9f094e
Quelldatensatz
uspto-grants-2011_10
Patentnummer
US08030326B2

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