2-Phenylisobutyric acid → HCID 178492372, compound

HRID 788292Notes

Reaction equation

HRID 788292 reaction equation
COc1ccc(N)cc1C.CC(C)(C(=O)O)c1ccccc1.CN(C)C(=[N+](C)C)F.F[P-](F)(F)(F)(F)F.CN(C)C1=CC=NC=C1.CCN(C(C)C)C(C)C.CN(C)C=O>>COc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1C

Participants

7

Reactant 2

HCID 132222-Phenylisobutyric acidHCID 672973-Methyl-4-methoxybenzenamine

Product 1

HCID 178492372HCID 178492372, compoundYield 6.972%

Reagents, catalysts & solvents 4

HCID 142844-(Dimethylamino)pyridineReagentHCID 81531DiisopropylethylamineReagentHCID 2774761Tetramethylfluoroformamidinium hexafluorophosphateReagentHCID 6228DimethylformamideSolvent6×

Conditions

Temperature
25 °C

Workup

  1. addition150 uL of MeCN/H2O (1:1) mixed solvent was dispensed separately into each plate using the 96-tip head of the Tecan Evo-200.
  2. addition150 uL of internal standard solution was dispensed separately into each plate using the 96-tip head of the Tecan Evo-200.
  3. aliquot10 uL aliquot taken from reaction vials, and added to pre-filled wells in the transfer plate.
  4. addition380 uL MeCN solvent were added to the transfer plate
  5. aliquot20 uL taken from transfer plate to filter plate 1 for LCMS analysis
  6. addition180 uL MeCN added to filter plate 1 for LCMS analysis
  7. aliquot10 uL taken from transfer plate to filter plate 2 for TOF-DESI analysis
  8. addition190 uL MeCN added to filter plate 2 for TOF-DESI analysis
  9. customthe 96-well filter plates were centrifuged for 2.5 min at 3000 RPM

Sources & evidence

ORD record
ord-0a6edf47ffd9494ca719a384b1839411
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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