Photo-Catalytic Alkylation Kit

Product overview: HCK1016-01-001

The trifluoroborate alkylation reaction (Minisci reaction) described by Prof. Molander is a powerful late stage functionalization tool. Our kit allows to conveniently produce in one step 8 different analogues of a lead compound  in mg quantities. Each reaction vial contains 75 µmol of trifluoroborate alkylation reagent (pre-weighed) and a stirring bar to react with 50 µmol of substrate.  C-H functionalization will primarily occur on electron-deficient heteroarenes at one or several positions.



8 Different Diversification Groups
Test Compounds


Kit Description:

For each kit, 4 mL of a 0.1 M solution of substrate (400 µmol total) in DMSO is prepared with 8.98 mg photocatalyst Ir(dF-CF3-ppy)2(dtbpy) (8 µmol, 0.02 mol%) and trifluoroacetic acid (153 µL, 5 equiv) included. The solution is sparged with nitrogen. Each vial contains 27.0 mg K2S2O8 (100 µmol, 2 equiv.) and 1.5 equiv. BF3K reagent (75 µmol) in 2 ml vial equipped with stir bar and Teflon septa. Alternatively for methylation, vial contains 39.9 µL of TBPA tert-butyl peracetate. Vials are prepared under argon. 500 µL of substrate solution added via syringe and vial is placed in PhotoRedox Box equipped with PAR 6200K white light. Reaction is stirred for 2-24 hr.


IMG_9866 IMG_9870

Kit contents (HCK1016-01-001) : 2 reaction vials of each BF3K reagents (75 µmol) and K2S2O8 (100 µmol), 2 vials of photocatalysts and 2 vials of TFA, 16 reaction vials total


Photocatalytic Alkylation Reagents (2 Vials of each)
Potassium cyclopropyl trifluoroborate Potassium cyclobutyl trifluoroborate Potassium cyclopentyl trifluoroborate Potassium cyclohexyl trifluoroborate Potassium ethyl trifluoroborate Potassium isopropyl trifluoroborate Potassium methoxymethyl trifluoroborate t-Butyl peracetate
 MW (g/mol) 147.98 162.00 176.03 190.06 135.97 149.99 151.97 132.16
CAS Number 1065010-87-8 1065010-88-9 1040745-70-7 446065-11-8 44248-07-9 1041642-13-0 910251-11-5 107-71-1

Literature references:
Jennifer K. Matsui,  David N. Primer  and  Gary A. Molander   Chem. Sci.20178 (39), pp 3512-3522
Tim Cernak,  Kevin D. Dykstra,  Sriram Tyagarajan,  Petr Vachal  and  Shane W. Krska Chem. Soc. Rev.201645, pp 546-576


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