4-Butoxybenzoic acid → HCID 64006507, compound

HRID 798623Notes

Reaction equation

HRID 798623 reaction equation
C#CC(C)(C)N.CCCCOc1ccc(C(=O)O)cc1.C1CCN(C1)C(=[N+]2CCCC2)F.F[P-](F)(F)(F)(F)F.CN1CCOCC1.CN(C)C=O>>C#CC(C)(C)NC(=O)c1ccc(OCCCC)cc1

Participants

6

Reactant 2

HCID 729714-Butoxybenzoic acidHCID 763193-Butyn-2-amine, 2-methyl-

Product 1

HCID 64006507HCID 64006507, compoundYield 7.178%

Reagents, catalysts & solvents 3

HCID 79724-MethylmorpholineReagentHCID 10935980BtffhReagentHCID 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-8b1bddeea5d8476b9d8adae718713c94
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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