Fluorination Kit

Fluorination is one of the most interesting C-H functionalization described in literature. Our kit is designed to conveniently screen fluorination reaction conditions using PdOAc2 as catalyst in presence of most common fluorine sources; Silver Fluoride AgF, 1-fluoro-2,4,6-trimethyl-pyridinium triflate (TMPyF), SelectFluor®, and N-fluorobenzenesulfonimide (NFSI)  and oxidant Bis(tert-butylcarbonyloxy iodobenzene (PhIOPiv).

Kit HCK1008-01-001: Includes 2 sets of reagents; Catalyst and oxidant are mixed in the same vial.

The typical protocol is performed at 0.05 mol/l concentration of substrate with four different fluorinating agents. When present, reaction includes 10 mol% catalyst and 2 equiv. of oxidant. Each kit contains two sets of reagents allowing the screening of two different solvents. Preferred solvents for the fluorination kit include a 5% isobutyronitrile (iPrCN)/dichloroethane mixture, dichloroethane, acetonitrile and dichloromethane. If low solubility of substrate is observed, it is possible to decrease substrate concentration by increasing the reaction volume while maintaining the stoichiometry of the reaction. Maximum volume for reaction vial is 200 µl.

12 conditions with AgF, TMPyF, Selectfluor and NFSI

AgF TMPyF SelectFluor® NFSI
Pd(OAc)2
5 eq. AgF
MgSO4
PhIOPiv
Pd(OAc)2
TMPyF
Pd(OAc)2
SelectFluor®
Pd(OAc)2
NFSI
Pd(OAc)2
5 eq. AgF
PhIOPiv
PhIOPiv
TMPyF
PhIOPiv
SelectFluor®
PhIOPiv
NFSI
Pd(OAc)2
10 eq. AgF
PhIOPiv
TMPyF SelectFluor® NFSI

 

Kit contents:
Part number

Vial

Quantity

Amount

K-0228-01-001

Pd(OAc)2/ 5 eq. AgF/ MgSO4/ PhIOPiv

2x vial

0.25 µmol/ 12.5 µmol/ 5 µmol/ 5 µmol

K-0229-01-001

Pd(OAc)2/ 5 eq. AgF/ PhIOPiv

2x vial

0.25 µmol/ 12.5 µmol/ 5 µmol

K-0230-01-001

Pd(OAc)2/ 10 eq. AgF/ PhIOPiv

2x vial

0.25 µmol/ 25 µmol/ 5 µmol

K-0231-01-001

Pd(OAc)2/ TMPyF

2x vial

0.25 µmol/ 5 µmol

K-0232-01-001

Pd(OAc)2/ SelectFluor®

2x vial

0.25 µmol/ 5 µmol

K-0233-01-001

Pd(OAc)2/ NFSI

2x vial

0.25 µmol/ 5 µmol

K-0234-01-001

PhIOPiv/ TMPyF

2x vial

5 µmol/ 5 µmol

K-0235-01-001

PhIOPiv/ SelectFluor®

2x vial

5 µmol/ 5 µmol

K-0236-01-001

PhIOPiv/ NFSI

2x vial

5 µmol/ 5 µmol

K-0237-01-001

TMPyF

2x vial

5 µmol

K-0238-01-001

SelectFluor®

2x vial

5 µmol

K-0239-01-001

NFSI

2x vial

5 µmol

 

 

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