Toluene → HCID 136348773, 화합물

HRID 1158821노트

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HRID 1158821 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 Celsius. 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 crystals 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 Celsius
  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-b40d6471ad6c43008675d1c346b3e711
출처 데이터셋
uspto-grants-2010_10
특허 번호
US07812032B2

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