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

HRID 2026

Reaction equation

HRID 2026 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].Br[CH2:15][CH2:16][CH2:17][P:18]([O:23][CH2:24][CH3:25])(=[O:22])[O:19][CH2:20][CH3:21]>>[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][P:18](=[O:22])([O:23][CH2:24][CH3:25])[O:19][CH2:20][CH3:21])[C:2]1=[O:3]

Participants

3

Reactant 2

HCID 5429TheobromineHCID 283500Diethyl (3-bromopropyl)phosphonate

Product 1

HCID 22446287Diethyl [3-(3,7-dimethylxanthin-1-yl)propyl]phosphonate

Procedure

The title substance was prepared from 0.067 mol of theobromine and 0.08 mol of diethyl 3-bromopropanephosphonate analogously to Example 32.

Sources & evidence

ORD record
ord-38aa921c2f824a8a8df4283d74a543c9
Source dataset
uspto-grants-1998_03
Patent number
US05728686

Linked notes

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