Theobromine → Diethyl [4-(3,7-dimethylxanthin-1-yl)-butyl]phosphonate

HRID 2022

Reaction equation

HRID 2022 reaction equation
[NH:1]1[C:12](=[O:13])[C:11]2[N:9]([CH3:10])[CH:8]=[N:7][C:6]=2[N:4]([CH3:5])[C:2]1=[O:3].Cl[CH2:15][CH2:16][CH2:17][CH2:18][P:19]([O:24][CH2:25][CH3:26])(=[O:23])[O:20][CH2:21][CH3:22]>>[CH3:5][N:4]1[C:6]2[N:7]=[CH:8][N:9]([CH3:10])[C:11]=2[C:12](=[O:13])[N:1]([CH2:15][CH2:16][CH2:17][CH2:18][P:19](=[O:23])([O:24][CH2:25][CH3:26])[O:20][CH2:21][CH3:22])[C:2]1=[O:3]

Participants

3

Reactant 2

HCID 5429TheobromineHCID 19689195Diethyl(4-chlorobutyl)phosphonate

Product 1

HCID 22446274Diethyl [4-(3,7-dimethylxanthin-1-yl)-butyl]phosphonate

Procedure

The title substance was prepared from 0.075 mol of theobromine and 0.09 mol of diethyl 4-chlorobutanephosphonate analogously to Example 23 and crystallized from diisopropyl ether.

Workup

  1. customcrystallized from diisopropyl ether

Sources & evidence

ORD record
ord-bf99dda85e8446dfbb7ca469f46d02aa
Source dataset
uspto-grants-1998_03
Patent number
US05728686

Linked notes

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