8-Chlorotheophylline → HCID 23081921, compound

HRID 1792015Notes

Reaction equation

HRID 1792015 reaction equation
Cl[C:2]1[NH:11][C:10]2[C:9](=[O:12])[N:7]([CH3:8])[C:6](=[O:13])[N:5]([CH3:14])[C:4]=2[N:3]=1.[C:15]([O:19][C:20]([N:22]1[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]1)=[O:21])([CH3:18])([CH3:17])[CH3:16]>C(OCC)(=O)C.O>[C:15]([O:19][C:20]([N:22]1[CH2:27][CH2:26][N:25]([C:2]2[NH:11][C:10]3[C:9](=[O:12])[N:7]([CH3:8])[C:6](=[O:13])[N:5]([CH3:14])[C:4]=3[N:3]=2)[CH2:24][CH2:23]1)=[O:21])([CH3:18])([CH3:16])[CH3:17]

Participants

5

Reactant 2

HCID 106618-ChlorotheophyllineHCID 143452tert-Butyl piperazine-1-carboxylate

Product 1

HCID 23081921HCID 23081921, compoundYield 61.4%

Reagents, catalysts & solvents 2

HCID 962WaterSolventHCID 8857Ethyl AcetateSolvent

Conditions

Temperature
110 °C

Procedure

8-Chlorotheophylline (3.5 g) and piperazine-1-carboxylic acid tert-butyl ester (11.69 g) were mixed, and stirred at 110° C. overnight. Then, the reaction mixture was diluted with ethyl acetate and water, insoluble white solid was collected by filtration, and washed with ethyl acetate to give 3.65 g of the title compound.

Workup

  1. filtrationwas collected by filtration
  2. washwashed with ethyl acetate

Sources & evidence

ORD record
ord-480476da2ef24e60b6fbd0355d35cc33
Source dataset
uspto-grants-2006_07
Patent number
US07074798B2

Reaction notes

Loading…