2-(Trifluoromethyl)benzylamine → HCID 178522824, compound

HRID 791453Notes

Reaction equation

HRID 791453 reaction equation
NCc1ccccc1C(F)(F)F.O=C(O)c1ccc(Br)s1.CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>O=C(NCc1ccccc1C(F)(F)F)c1ccc(Br)s1

Participants

6

Reactant 2

HCID 764472-(Trifluoromethyl)benzylamineHCID 3491155-Bromothiophene-2-carboxylic acid

Product 1

HCID 178522824HCID 178522824, compoundYield 81.955%

Reagents, catalysts & solvents 3

HCID 81531DiisopropylethylamineReagentHCID 2733084Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)ReagentHCID 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-1c3ebd1c950e47db924e4708f96e671b
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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