Trifluoroacetic acid → 3-(4-(3-(2-(Trifluoromethyl)phenyl)ureido)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid

HRID 2189466Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 2189466
[F:1][C:2]([F:36])([F:35])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[NH:9][C:10](=[O:34])[NH:11][C:12]1[CH:17]=[CH:16][C:15]([C:18]2[N:22]3[N:23]=[CH:24][CH:25]=[C:26]([C:27]([O:29]C(C)(C)C)=[O:28])[C:21]3=[N:20][N:19]=2)=[CH:14][CH:13]=1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[F:36][C:2]([F:1])([F:35])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[NH:9][C:10](=[O:34])[NH:11][C:12]1[CH:13]=[CH:14][C:15]([C:18]2[N:22]3[N:23]=[CH:24][CH:25]=[C:26]([C:27]([OH:29])=[O:28])[C:21]3=[N:20][N:19]=2)=[CH:16][CH:17]=1

Komponenten

4

Edukt 2

HCID 6422Trifluoroacetic acidHCID 58137778Tert-butyl 3-(4-(3-(2-(trifluoromethyl)phenyl)ureido)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate

Produkt 1

HCID 581377793-(4-(3-(2-(Trifluoromethyl)phenyl)ureido)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acidAusbeute 96,1 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6344DichloromethaneLösungsmittel

Versuchsvorschrift

A solution of tert-butyl 3-(4-(3-(2-(trifluoromethyl)phenyl)ureido)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate (66G) (58 mg, 0.12 mmol) in a mixed solvent of TFA (0.5 mL) and CH2Cl2 (0.5 mL) was stirred at room temperature for 3 h. Analysis by LC/MS indicated the starting material was consumed. The reaction was concentrated under reduced pressure, chased with CH2Cl2 (2×) and dried in high vacuum for 2 h to afford 51 mg of the title compound as a yellow solid. HPLC/MS (Method B): retention time=2.81 min, [M+H]+=443.3.

Aufarbeitung

  1. customwas consumed
  2. concentrationThe reaction was concentrated under reduced pressure
  3. customdried in high vacuum for 2 h

Quellen und Nachweise

ORD-Eintrag
ord-131ca7ef6c6e4d6bb1b807c70196f155
Quelldatensatz
uspto-grants-2012_12
Patentnummer
US08324241B2

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