Trifluoroacetic acid → HCID 22029801, compound

HRID 1791996Notes

Reaction equation

HRID 1791996 reaction equation
Cl[C:2]1[N:10]([CH2:11][CH:12]=[C:13]([CH3:15])[CH3:14])[C:9]2[C:8](=[O:16])[NH:7][C:6](=[O:17])[N:5]([CH3:18])[C:4]=2[N:3]=1.C(OC([N:26]1[CH2:32][CH2:31][CH2:30][NH:29][CH2:28][CH2:27]1)=O)(C)(C)C.[F:33][C:34]([F:39])([F:38])[C:35]([OH:37])=[O:36]>>[F:33][C:34]([F:39])([F:38])[C:35]([OH:37])=[O:36].[N:26]1([C:2]2[N:10]([CH2:11][CH:12]=[C:13]([CH3:15])[CH3:14])[C:9]3[C:8](=[O:16])[NH:7][C:6](=[O:17])[N:5]([CH3:18])[C:4]=3[N:3]=2)[CH2:32][CH2:31][CH2:30][NH:29][CH2:28][CH2:27]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 2756058Tert-butyl 1,4-diazepane-1-carboxylateHCID 220297223-Methyl-7-(3-methyl-2-buten-1-yl)-8-chloro-xanthine

Product 1

HCID 22029801HCID 22029801, compound

Procedure

8-Chloro-3-methyl-7-(3-methylbut-2-enyl)-3,7-dihydropurine-2,6-dione (40 mg) and 1-homopiperazine carboxylic acid tert-butyl ester (87 μl) were stirred at 140° C. for 1 hour, then trifluoroacetic acid (0.5 ml) was added thereto, and the reaction mixture was stirred at room temperature for 30 minutes. After removing the solvent by distillation at reduced pressure from the reaction mixture, the residue was purified by HPLC with a reversed phase column using water-acetonitrile-trifluoroacetic acid system as eluent to give 46.8 mg of the title compound.

Workup

  1. customAfter removing the solvent
  2. distillationby distillation at reduced pressure from the reaction mixture
  3. customthe residue was purified by HPLC with a reversed phase column

Sources & evidence

ORD record
ord-0b8d5e54a691445ab4e1ac037bfb07b4
Source dataset
uspto-grants-2006_07
Patent number
US07074798B2

Reaction notes

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