Piperidine → HCID 178462863, compound

HRID 1652205Notes

Reaction equation

HRID 1652205 reaction equation
C1CCNCC1.CCn1c(=O)c2c(nc(N[C@@H]3CCC[C@H]3O)n2Cc2ccc(OC)c(Br)c2)n(CCO)c1=O>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]>CCn1c(=O)c2c(nc(N[C@@H]3CCC[C@H]3O)n2Cc2ccc(OC)c(N3CCCCC3)c2)n(CCO)c1=O

Participants

7

Reactant 2

HCID 8082PiperidineHCID 9871410Dasantafil

Product 1

HCID 178462863HCID 178462863, compoundYield 25.384%

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-219fb6c09c254b9d9864b697a281c8b7
Source dataset
Nano CN PhotoChemistry Informers Library
Original link
View source

Reaction notes

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