Ethanol → HCID 136348772, compound

HRID 1661091Notes

Reaction equation

HRID 1661091 reaction equation
[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.[CH3:70][CH2:71][OH:72]>C(#N)C>[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.[CH2:71]([OH:72])[CH3:70]

Participants

4

Reactant 2

HCID 702EthanolHCID 52945214HCID 52945214, compound

Product 1

HCID 136348772HCID 136348772, compound

Reagents, catalysts & solvents 1

HCID 6342AcetonitrileSolvent

Procedure

Crystals of ABT-578 ethanol solvate were prepared by adding 417 mg amorphous ABT-578 to a vial and charging 315 mg ethanol 200 proof to it to enable dissolution. This was seeded after 15 hours with the acetonitrile desolvated solvate and incubated at 0 degrees Celsius for an additional 16 hours upon which a crystalline slurry was obtained.

Workup

  1. dissolutiondissolution
  2. customa crystalline slurry was obtained

Sources & evidence

ORD record
ord-16eb5ce1c761412d843b408c86b20fcb
Source dataset
uspto-grants-2011_10
Patent number
US08030326B2

Reaction notes

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