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Hydrochloric Acid → 1,3-Di-n-butyl-8-chloro Xanthine

HRID 1602140
Notes
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Reaction equation

HRID 1602140 reaction equation
[CH2:1]([N:5]1[C:14](=[O:15])[C:13]2[NH:12][C:11]([N+]([O-])=O)=[N:10][C:9]=2[N:8]([CH2:19][CH2:20][CH2:21][CH3:22])[C:6]1=[O:7])[CH2:2][CH2:3][CH3:4].[ClH:23]>>[CH2:1]([N:5]1[C:14](=[O:15])[C:13]2[NH:12][C:11]([Cl:23])=[N:10][C:9]=2[N:8]([CH2:19][CH2:20][CH2:21][CH3:22])[C:6]1=[O:7])[CH2:2][CH2:3][CH3:4]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

3

Reactant 2

HCID 313Hydrochloric AcidHCID 99444751,3-Di-n-butyl-8-nitro Xanthine

Product 1

HCID 99660571,3-Di-n-butyl-8-chloro Xanthine

Procedure

1,3-Di-n-butyl-8-nitro xanthine (0.5 g, 0.0016 mol) was refluxed for 18 hours with concentrated hydrochloric acid (8 ml). The reaction mixture was extracted with dichloromethane (20 ml), the organic layer washed with water to neutrality and then dried over anhydrous sodium sulphate. The solvent was then removed by evaporation in vacuo and the residue was recrystallised from ethanol, to give the title compound, yield 0.38 g (73%), m.pt. 152° C.

Workup

  1. extractionThe reaction mixture was extracted with dichloromethane (20 ml)
  2. washthe organic layer washed with water to neutrality
  3. dry with materialdried over anhydrous sodium sulphate
  4. custom
The solvent was then removed by evaporation in vacuo
  • customthe residue was recrystallised from ethanol
  • Sources & evidence

    ORD record
    ord-777ad53f868e4e92a9fd2bb685dbe988
    Source dataset
    uspto-grants-1999_11
    DOI
    10.6084/m9.figshare.5104873.v1
    Patent number
    US05981535

    Reaction notes

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    On this pageParticipantsProcedureWorkupSources & evidenceReaction notes