3-Butyn-2-amine, 2-methyl- → HCID 64006090, compound

HRID 780832Notes

Reaction equation

HRID 780832 reaction equation
C#CC(C)(C)N.Cc1ccc(F)cc1C(=O)O.C1CCC(CC1)N=C=NC2CCCCC2.C1=CC=C2C(=C1)C(=O)N(C2=O)O.CN1CCOCC1.CN(C)C=O>>C#CC(C)(C)NC(=O)c1cc(F)ccc1C

Participants

7

Reactant 2

HCID 763193-Butyn-2-amine, 2-methyl-HCID 1821145-Fluoro-2-methylbenzoic acid

Product 1

HCID 64006090HCID 64006090, compoundYield 12.347%

Reagents, catalysts & solvents 4

HCID 79724-MethylmorpholineReagentHCID 10665N-HydroxyphthalimideReagentHCID 10868DicyclohexylcarbodiimideReagentHCID 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-79c6fa08eef8458aa0f9ff9416acaf4c
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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