Caffeine → 8-Trifluoromethylcaffeine

HRID 2418909

Reaction equation

HRID 2418909 reaction equation
Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=S(O)C(F)(F)F.[Zn]>CC(C)(C)OO.ClCCl.O>Cn1c(=O)c2c(nc(C(F)(F)F)n2C)n(C)c1=O

Participants

6

Reactant 2

HCID 2519CaffeineHCID 89601280CID 89601280

Product 1

HCID 443226878-TrifluoromethylcaffeineYield 89%

Reagents, catalysts & solvents 3

HCID 6410tert-Butyl hydroperoxideReagentHCID 962WaterSolventHCID 6344DichloromethaneSolvent

Conditions

Temperature
25 °C

Sources & evidence

ORD record
ord-57e064e40ad34fb19550033d43abbfeb
Source dataset
Minisci dataset from Roche

Linked notes

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