Caffeine → 1,3,7-Trimethyl-8-(propan-2-yl)-3,7-dihydro-1h-purine-2,6-dione

HRID 2418898Notes

Reaction equation

HRID 2418898 reaction equation
CC(C)S(=O)O.Cn1c(=O)c2c(ncn2C)n(C)c1=O.[Zn]>CC(C)(C)OO.CS(C)=O.O>CC(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1C

Participants

6

Reactant 2

HCID 2519CaffeineHCID 117778686Propane-2-sulfinic acid;ZINC

Product 1

HCID 2656051,3,7-Trimethyl-8-(propan-2-yl)-3,7-dihydro-1h-purine-2,6-dioneYield 41%

Reagents, catalysts & solvents 3

HCID 6410tert-Butyl hydroperoxideReagentHCID 679Dimethyl SulfoxideSolventHCID 962WaterSolvent

Conditions

Temperature
50 °C

Sources & evidence

ORD record
ord-ea7c4b71a086469394a4a7c53223042b
Source dataset
Minisci dataset from Roche

Reaction notes

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