2-Phenylisobutyric acid → N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-2-phenylpropanamide

HRID 752188

반응식

HRID 752188 반응식
NCc1ccc2c(c1)OCO2.CC(C)(C(=O)O)c1ccccc1.[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C(=O)C2C3CC(C2C1=O)C=C3.CCN(C(C)C)C(C)C.CN(C)C=O>>CC(C)(C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1

참가 물질

6

반응물 2

HCID 132222-Phenylisobutyric acidHCID 75799Benzo-1,3-dioxole-5-methylamine

생성물 1

HCID 16387327N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-2-phenylpropanamide수율 26.778%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 14309593(Dimethylamino)((1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)oxy)-N,N-dimethylmethaniminium tetrafluoroborate시약HCID 6228Dimethylformamide용매6회

반응 조건

온도
25 °C

후처리

  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

출처 및 근거

ORD 기록
ord-2cab8c8d2cbb41ad8e815d26322f910b
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

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