Bromine → HCID 11175918, compound

HRID 2114605Notes

Reaction equation

HRID 2114605 reaction equation
[CH2:1]([N:4]1[C:13](=[O:14])[C:12]2[NH:11][CH:10]=[N:9][C:8]=2[N:7]([CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[C:5]1=[O:6])[CH2:2][CH3:3].CC(O[Na])=O.[Br:27]Br>C(O)(=O)C>[CH2:1]([N:4]1[C:13](=[O:14])[C:12]2[NH:11][C:10]([Br:27])=[N:9][C:8]=2[N:7]([CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[C:5]1=[O:6])[CH2:2][CH3:3]

Participants

5

Reactant 3

HCID 24408BromineHCID 11185211HCID 11185211, compoundHCID 178418247HCID 178418247, compound

Product 1

HCID 11175918HCID 11175918, compoundYield 85%

Reagents, catalysts & solvents 1

HCID 176Acetic AcidSolvent

Conditions

Temperature
45 °C

Procedure

A mixture of 1-propyl-3-benzyl xanthine (2.82 mmol), CH3CO2Na (2.82 mmol) and acetic acid (15 mL) was heated at 40-50° C. To the solution was added Br2 (2.82 mmol) and the reaction was stirred for further 30 minutes at 45° C. After cooling at room temperature the precipitate was collected by filtration and finally crystallized from EtOH. (White solid. Yield 85%).

Workup

  1. temperatureAfter cooling at room temperature the precipitate
  2. filtrationwas collected by filtration
  3. customfinally crystallized from EtOH

Sources & evidence

ORD record
ord-9332d3d0287041b0acca4c877756beac
Source dataset
uspto-grants-2008_10
Patent number
US07435740B2

Reaction notes

Loading…