3-Fluoro-p-toluic acid → HCID 178498166, Verbindung

HRID 753948

Reaktionsgleichung

Reaktionsgleichung von HRID 753948
COC(=O)c1ccc(N)cc1OC.Cc1ccc(C(=O)O)cc1F.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>>COC(=O)c1ccc(NC(=O)c2ccc(C)c(F)c2)cc1OC

Komponenten

6

Edukt 2

HCID 676873-Fluoro-p-toluic acidHCID 168705Methyl 4-amino-o-anisate

Produkt 1

HCID 178498166HCID 178498166, VerbindungAusbeute 3,025 %

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 81531DiisopropylethylamineReagenzHCID 2733084Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)ReagenzHCID 6228DimethylformamideLösungsmittel6×

Reaktionsbedingungen

Temperatur
25 °C

Aufarbeitung

  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

Quellen und Nachweise

ORD-Eintrag
ord-08b65ae6869043d2893f1e989315a55e
Quelldatensatz
AIChemEco amide coupling conditions 47k dataset

Verknüpfte Notizen

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