
	Photochemical methylation


	Cross Coupling reactions Iridium/Nickel Photoredox Kits

Cross Coupling reactions Iridium/Nickel Photoredox Kits

Product overview: In recent years photoredox chemistry has become a powerful tool for chemical synthesis. Many reaction conditions have been reported in the literature using a wide range of catalysts and reagents. However, often these reactions are highly substrate, solvent and base specific. In order to facilitate the screening of common photochemistry reactions, HepatoChem has released a series of kits combining common Iridium, Nickel, ligand and base combinations to achieve successful cross-coupling transformations.
	Ir/Ni catalysis versatility Depending on the ligand, base and solvent, the Ir/Ni catalytic systems can perform different types of cross-coupling reaction.
	C-C coupling Example :
	C-N coupling Example :

Iridium catalyst Ir(dF-CF₃-ppy)₂(dtbpy)PF₆	Nickel Ligands

	dtbbpy	(MeO)₂bpy

	bphen	biox

Ir/Ni base and solvent screen kit 1
With Iridium catalyst Ir(dF-CF₃-ppy)₂(dtbbpy)PF₆ and Ni ligand dtbbpy
	Cs₂CO₃	K₃PO₄	K₂HPO₄	KOH	Li₂CO₃	K₂CO₃	DABCO	DBU
Solvent A	2 sets of 8 bases per kit (16 total vials) # HCK1009-01-002
Solvent B

Ir/Ni base and ligand screen kit 2 & 3
With Iridium catalyst Ir(dF-CF₃-ppy)₂(dtbbpy)[PF₆]
	Cs₂CO₃	K₃PO₄	K₂HPO₄	K₂CO₃	PDABCO	DBU
	2 sets of 4 bases and 4 ligands per kit (32 total vials) # HCK1009-01-003				2 sets of 6 bases and 4 ligands per kit (48 total vials) # HCK1009-01-004

Ir/Ni base and Ir catalyst screen kit 4
	Cs₂CO₃	CsF	DBU
Ir(dF-CF₃-ppy)₂(dtbbpy)PF₆	2 sets of 3 bases and 6 Ir catalysts per kit (36 total vials) # HCK1009-01-005			With Ni ligand dtbbpy
Ir(dtbbpy)(ppy)₂PF₆
Ir(dF-CF₃-ppy)₂(bpy)PF₆
Ir(dF-ppy)₃
Ir(dmppy)₂(dtbbpy)PF₆
Ir(dF-CH₃-ppy)₂(dtbbpy)PF₆

Ir/Ni base and solvent screen kit 5
With Iridium catalyst Ir(dF-CF3-ppy)2(dtbbpy)PF6, quinuclidineand Ni ligand dtbbpy
	Cs₂CO₃	K₃PO₄	K₂HPO₄	KOH	Li₂CO₃	K₂CO₃	DABCO	DBU
Solvent A	2 sets of 8 bases per kit (16 total vials) # HCK1009-01-006
Solvent B

	Ir/Ni HAT Screening kit Product overview: HCK1009-01-007
	Description: 3 sets of reaction conditions with iridium catalysts Ir(dF-CF3-ppy)2(dtbbpy)PF6 and Ir(ppy)(dtbbpy)2PF6, NiBr2*3H2O, two ligands 4,7-dOMe-phen and 4,4’-dOMe-bpy and two bases Quinuclidine and 3-Acetoxy-quinuclidine. 15 reaction vials total.


	Photocatalytic Alkylation Diversification Kit

Photocatalytic Alkylation Diversification Kits

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

Photocatalytic_alkylation_Interchim_0618

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., 2017,8, 3512-3522
Tim Cernak, Kevin D. Dykstra, Sriram Tyagarajan, Petr Vachal and Shane W. Krska Chem. Soc. Rev., 2016,45, 546-576.

Photocatalytic Alkylation Screen Kit

Product overview: HCK1016-01-002 Description: This kit is designed to screen 4 photocatalysts (Ir(dF-CF3-ppy)2(dtbpy) , Rubpy , MesAcr and 4CzIPN) in the presence of 7 different potassium tri-fluoroborate reagents, K2S2O8, and tert-butyl peracetic acid for methylation. 32 re-action conditions simultaneously.

32 reaction conditions with 4 catalysts with 8 different alkylation reagents
	BF3K Reagents 1 - cyclopropyl-BF₃K 2 - cyclobutyl-BF₃K 3 - cyclopentyl-BF₃K 4 - cyclohexyl-BF₃K 5 - ethyl-BF₃K 6 - isopropyl-BF₃K 7 - MOM-BF₃K 8 - TBPA

	[Ir{dF(CF₃)ppy}₂(dtbbpy)]PF₆	[Ir(ppy)₂(dtbbpy)]PF₆
50/50 Acetonitrile/TFA	5 equiv. tert-butyl peracetic acid
Acetonitrile (10 equiv. TFA)
Acetic acid (10 equiv. TFA)
Acetic acid/H₂O (10 equiv. TFA)

Photochemical methylation Example :

Cross Coupling reactions Iridium/Nickel Photoredox Kits

Ir/Ni base and solvent screen kit 1

Ir/Ni base and ligand screen kit 2 & 3

Ir/Ni base and Ir catalyst screen kit 4

Ir/Ni base and solvent screen kit 5

Ir/Ni HAT Screening kit

Photocatalytic Alkylation Diversification Kits

8 Different Diversification Groups

Photocatalytic Alkylation Reagents (2 Vials of each)

Photocatalytic Alkylation Screen Kit

32 reaction conditions with 4 catalysts with 8 different alkylation reagents

Photochemical methylation

Example :