Piperidine → HCID 178470271, compound

HRID 1651931Notes

Reaction equation

HRID 1651931 reaction equation
C1CCNCC1.CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(Br)ccc1-2>C1CN2CCN1CC2.COCCOC.CS(C)=O.Fc1cc(F)c(-c2ccccn2)[c]([Ir]([c]2cc(F)cc(F)c2-c2ccccn2)[c]2cc(F)cc(F)c2-c2ccccn2)c1.[Cl][Ni][Cl]>CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(N3CCCCC3)ccc1-2

Participants

7

Reactant 2

HCID 8082PiperidineHCID 10737466Ethyl 8-bromo-5,6-dihydro-5-methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate

Product 1

HCID 178470271HCID 178470271, compoundYield 11.758%

Reagents, catalysts & solvents 4

HCID 9237DabcoCatalystHCID 15773433Dichloronickel;1,2-dimethoxyethaneCatalystHCID 178505916Tris[2-(2-pyridinyl)-3,5-difluorophenyl] iridium(III)CatalystHCID 679Dimethyl SulfoxideSolvent3×

Conditions

Temperature
55 °C

Workup

  1. additionThe samples was moved from a 1536 well plate into a 384 well plate. The 384 well plate contained 75 microliter of 1% Acetic acid in DMSO solution with 0.003M trimethoxybenzene. The reaction plate was rinsed three times with the same solution to make a total addition volume of ~90 microliters
  2. aliquot25 microliter of quenched reaction mixture was taken
  3. additionTo the 25 microliter aliquot 50 microliter of DMSO was added. If the original reaction concentration was 0.05 M (wrt limiting reagent). This would make a final analytical concentration of 0.36 mM which is in line with typical analytical concentrations from this group.

Sources & evidence

ORD record
ord-8d9d0ac27f394a8ebd387f655868f397
Source dataset
Nano CN PhotoChemistry Informers Library
Original link
View source

Reaction notes

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