Toluene → HCID 136348773, 화합물

HRID 1663301노트

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HRID 1663301 반응식
[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]

참가 물질

4

반응물 2

HCID 1140TolueneHCID 52945214HCID 52945214, 화합물

생성물 1

HCID 136348773HCID 136348773, 화합물

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

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).

후처리

  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)

출처 및 근거

ORD 기록
ord-e6621f29bbcd4337a1fb9a8fe20c4092
출처 데이터셋
uspto-grants-2011_10
특허 번호
US08034926B2

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