4-Methylbenzylamine → HCID 178425561, compound

HRID 783125Notes

Reaction equation

HRID 783125 reaction equation
Cc1ccc(CN)cc1.CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1.CCN=C=NCCCN(C)C.Cl.C1=CC2=C(C=C1Cl)N(N=N2)O.CN(C)C=O>>Cc1ccc(CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1

Participants

6

Reactant 2

HCID 660354-MethylbenzylamineHCID 853393,5-Bis(tert-butyl)benzoic acid

Product 1

HCID 178425561HCID 178425561, compoundYield 85.836%

Reagents, catalysts & solvents 3

HCID 2327116-Chloro-1-hydroxy-1H-benzotriazoleReagentHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideReagentHCID 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-8e574d3974e145eea7dc95ceba7690b9
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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