Trifluoroacetic acid → HCID 178449279, compound

HRID 2289768Notes

Reaction equation

HRID 2289768 reaction equation
C([O:5][C:6](=[O:29])[CH:7]([CH:26]([CH3:28])[CH3:27])[NH:8][C:9]([C:11]1[CH:20]=[C:19]2[C:14]([C:15]([Cl:25])=[CH:16][N:17]=[C:18]2[NH:21][C:22]([NH2:24])=[NH:23])=[CH:13][CH:12]=1)=[O:10])(C)(C)C.[C:30]([C:34]([OH:36])=[O:35])([F:33])([F:32])[F:31]>C1(C)C=CC=CC=1>[F:31][C:30]([F:33])([F:32])[C:34]([OH:36])=[O:35].[Cl:25][C:15]1[C:14]2[C:19](=[CH:20][C:11]([C:9]([NH:8][CH:7]([C:6]([OH:29])=[O:5])[CH:26]([CH3:28])[CH3:27])=[O:10])=[CH:12][CH:13]=2)[C:18]([NH:21][C:22]([NH2:24])=[NH:23])=[N:17][CH:16]=1

Participants

4

Reactant 2

HCID 6422Trifluoroacetic acidHCID 178449278HCID 178449278, compound

Product 1

HCID 178449279HCID 178449279, compound

Reagents, catalysts & solvents 1

HCID 1140TolueneSolvent

Procedure

A solution of N-[(4-Chloro-1-guanidino-7-isoquinolinyl)carbonyl]-DL-valine t-butyl ester (200 mg, 0.48 mmol) in CF3CO2H (1.5 mL) was stirred at 0° C. for 30 min, and at 23° C. for 1 h. The reaction mixture was diluted with PhMe, evaporated in vacuo, and the residue triturated with EtOAc to give N-[(4-chloro-1-guanidino-7-isoquinolinyl)carbonyl]-DL-valine trifluoroacetate (170 mg, 0.36 mmol) as a white solid.

Workup

  1. customevaporated in vacuo
  2. customthe residue triturated with EtOAc

Sources & evidence

ORD record
ord-0b9206e62d2c47c2ac427070375b3eef
Source dataset
uspto-grants-2000_07
Patent number
US06093731

Reaction notes

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