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Hydrochloric Acid → 1-[5-(Undecylamino)hexyl]-3,7-dimethylxanthine

HRID 398797
Notes
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Reaction equation

HRID 398797 reaction equation
C([BH3-])#N.[Na+].O=[CH:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][N:12]1[C:21](=[O:22])[C:20]2[N:19]([CH3:23])[CH:18]=[N:17][C:16]=2[N:15]([CH3:24])[C:13]1=[O:14].[CH2:25]([NH2:36])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].Cl.[Cl-].[NH4+].[OH-].[NH4+]>O1CCCC1.CO>[CH2:25]([NH:36][CH:7]([CH3:6])[CH2:8][CH2:9][CH2:10][CH2:11][N:12]1[C:21](=[O:22])[C:20]2[N:19]([CH3:23])[CH:18]=[N:17][C:16]=2[N:15]([CH3:24])[C:13]1=[O:14])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

9

Reactant 6

HCID 313Hydrochloric AcidHCID 14923Ammonium HydroxideHCID 25517Ammonium ChlorideHCID 81742UndecylamineHCID 5003444Sodium cyanoborohydrideHCID 186910651-(6-Oxohexyl)-3,7-dimethylxanthine

Product 1

HCID 53880790
1-[5-(Undecylamino)hexyl]-3,7-dimethylxanthine
Yield 87.6%

Reagents, catalysts & solvents 2

HCID 887MethanolSolventHCID 8028TetrahydrofuranSolvent

Procedure

Sodium cyanoborohydride (63 mg, 1.0 mmol) was added to a mixture of 1-(6-oxohexyl)-3,7-dimethylxanthine (150 mg, 0.5 mmol), undecylamine (0.43 mL, 2.5 mmol), 38% aqueous hydrochloric acid solution (0.2 mL, 2.5 mmol), methanol (5 mL), and tetrahydrofuran (5 mL). The resulting mixture was stirred for 48 hours. Saturated aqueous ammonium chloride solution (20 mL) was added to the stirred mixture, followed by an additional 20 minutes of stirring and addition of 30% aqueous ammonium hydroxide solution (30 mL). The mixture was extracted with 25% methanol-dichloromethane (3×35 mL) and the combined extracts dried over sodium sulfate. The solvents were evaporated under vacuum, resulting in 190 mg of 1-[5-(Undecylamino)hexyl]-3,7-dimethylxanthine (86% yield).

Workup

  1. waitfollowed by an additional 20 minutes
  2. stirringof stirring
  3. extractionThe mixture was extracted with 25% methanol-dichloromethane (3×35 mL)
  4. dry with materialthe combined extracts dried over sodium sulfate
  5. customThe solvents were evaporated under vacuum

Sources & evidence

ORD record
ord-3fe3d023f4404ad58c652c80913c005e
Source dataset
uspto-grants-1998_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05817662

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes