Trifluoroacetic acid → HCID 69686450, compound

HRID 1018355Notes

Reaction equation

HRID 1018355 reaction equation
[C:1]12([CH2:11][CH2:12][C:13]3[N:17]([CH2:18][C:19]([O:21]C(C)(C)C)=[O:20])[C:16]([C:26]4[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=4[CH3:32])=[N:15][C:14]=3[C:33]([NH:35][C:36]3[CH:37]=[C:38]([CH:42]=[CH:43][CH:44]=3)[C:39]([OH:41])=[O:40])=[O:34])[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.[F:45][C:46]([F:51])([F:50])[C:47]([OH:49])=[O:48]>>[F:45][C:46]([F:51])([F:50])[C:47]([OH:49])=[O:48].[C:1]12([CH2:11][CH2:12][C:13]3[N:17]([CH2:18][C:19]([OH:21])=[O:20])[C:16]([C:26]4[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=4[CH3:32])=[N:15][C:14]=3[C:33]([NH:35][C:36]3[CH:37]=[C:38]([CH:42]=[CH:43][CH:44]=3)[C:39]([OH:41])=[O:40])=[O:34])[CH2:8][CH:7]3[CH2:9][CH:3]([CH2:4][CH:5]([CH2:6]3)[CH2:10]1)[CH2:2]2

Participants

3

Reactant 2

HCID 6422Trifluoroacetic acidHCID 18405337HCID 18405337, compound

Product 1

HCID 69686450HCID 69686450, compound

Procedure

A solution of the product of step d (217 mg, 0.36 mmol) in trifluoroacetic acid was stirred at room temperature for 16 h. The trifluoroacetic acid was removed in vacuum, the residue was dissolved in chloroform (15 ml) and the solvent was evaporated to afford the triflouoroacetic acid salt. 1H NMR (300 MHz, d6-DMSO) 9.91 (1H, s), 8.52 (1H, d), 7.96 (1H, d), 7.63 (1H, d), 7.45-7.27 (5H, m), 5.00 (2H, br s), 2.93 (2H, m), 2.17 (3H, s), 1.96 (3H, br s), 1.71-1.54 (12H, m), 1.31 (2H, m). Found: C, 62.33; H, 5.73; N, 6.27%. C34H36F3N3O7 requires: C, 62.28; H, 5.53; N, 6.41%.

Workup

  1. customThe trifluoroacetic acid was removed in vacuum
  2. dissolutionthe residue was dissolved in chloroform (15 ml)
  3. customthe solvent was evaporated
  4. customto afford the triflouoroacetic acid salt

Sources & evidence

ORD record
ord-29cadbc2d5894c74a8e6142eeb75f7b6
Source dataset
uspto-grants-2002_11
Patent number
US06479531B1

Reaction notes

Loading…