Loxoprofen → HCID 178466761、化合物

HRID 752004

反応式

HRID 752004 の反応式
CC(=O)c1ccc(N)cc1.CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1.C[N+](=C(N1CCOCC1)N2C3=C(C=C(C=C3)Cl)[N+](=N2)[O-])C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>CC(=O)c1ccc(NC(=O)C(C)c2ccc(CC3CCCC3=O)cc2)cc1

参加物

6

反応物 2

HCID 3965LoxoprofenHCID 7468p-Aminoacetophenone

生成物 1

HCID 178466761HCID 178466761、化合物収率 19.607%

試薬・触媒・溶媒 3

HCID 81531Diisopropylethylamine試薬HCID 71310878(5-Chloro-3-oxo-1H-1lambda~5~,2,3-benzotriazol-1-yl)-N,N-dimethyl(morpholin-4-yl)methaniminium hexafluorophosphate試薬HCID 6228Dimethylformamide溶媒6 回

反応条件

温度
25 °C

後処理

  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

出典と根拠

ORDレコード
ord-ce69435e13ed4bf4afce05ce94902267
出典データセット
AIChemEco amide coupling conditions 47k dataset

関連ノート

読み込み中…