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Diisopropylethylamine → HCID 71230903, Verbindung

HRID 2172684
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2172684
[F:1][C:2]([F:18])([F:17])[C:3]1[O:7][N:6]=[C:5]([C:8]2[CH:16]=[CH:15][C:11]([C:12]([OH:14])=O)=[CH:10][CH:9]=2)[N:4]=1.CN(C(F)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH3:34][C:35]1[CH:40]=[C:39]([NH2:41])[CH:38]=[CH:37][N:36]=1.CCN(C(C)C)C(C)C>CN(C=O)C>[CH3:34][C:35]1[CH:40]=[C:39]([NH:41][C:12](=[O:14])[C:11]2[CH:10]=[CH:9][C:8]([C:5]3[N:4]=[C:3]([C:2]([F:1])([F:18])[F:17])[O:7][N:6]=3)=[CH:16][CH:15]=2)[CH:38]=[CH:37][N:36]=1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

6

Edukt 4

HCID 81531DiisopropylethylamineHCID 7286704-Amino-2-methylpyridineHCID 2774761Tetramethylfluoroformamidinium hexafluorophosphateHCID 104914054-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid

Produkt 1

HCID 71230903HCID 71230903, Verbindung

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6228
Dimethylformamide
Lösungsmittel

Reaktionsbedingungen

Temperatur
50 °C

Versuchsvorschrift

To compound 12b, 4-(5-trifluoromethyl-[1,2,4]oxadiazol-3-yl)-benzoic acid, (40 mg, 0.155 mmol) in DMF (516 μL) was added TFFH (82 mg, 0.310 mmol), 2-methylpyridin-4-amine (33.5 mg, 0.310 mmol) and DIPEA (81 μL, 0.465 mmol). The reaction was stirred at 50° C. for 1.5 h. The reaction mixture was subjected to purification by reverse phase prep-HPLC (gradient elution, water/MeCN both containing 0.1% TFA). Fractions containing the desired compound were combined and freeze-dried. The resulting material was dissolved in a mix of ACN/MeOH. They were loaded on a PL-HCO3 MP cartridge (from StratoSpheres™ SPE) and eluted with ACN (3 ml). The eluate was diluted with water (10 ml) and freeze-dried to yield the final compound.

Aufarbeitung

  1. customThe reaction mixture was subjected to purification by reverse phase prep-HPLC (
  2. washgradient elution, water/MeCN both containing 0.1% TFA)
  3. additionFractions containing the desired compound
  4. customfreeze-dried
  5. dissolutionThe resulting material was dissolved in
  6. additiona mix of ACN/MeOH
  7. washeluted with ACN (3 ml)
  8. additionThe eluate was diluted with water (10 ml)
  9. customfreeze-dried

Quellen und Nachweise

ORD-Eintrag
ord-123ada3483ee444aa1175eb1f4b982c8
Quelldatensatz
uspto-grants-2015_06
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09056843B2

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