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Water → 2-(3,5-Bis-trifluoromethyl-benzoylamino)-4-hydroxy-benzoic acid methyl ester

HRID 29669
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 29669
[CH3:1][O:2][C:3](=[O:28])[C:4]1[CH:9]=[CH:8][C:7](N)=[CH:6][C:5]=1[NH:11][C:12](=[O:27])[C:13]1[CH:18]=[C:17]([C:19]([F:22])([F:21])[F:20])[CH:16]=[C:15]([C:23]([F:26])([F:25])[F:24])[CH:14]=1.N([O-])=[O:30].[Na+].S(=O)(=O)(O)O.O>FC(F)(F)C(O)=O>[CH3:1][O:2][C:3](=[O:28])[C:4]1[CH:9]=[CH:8][C:7]([OH:30])=[CH:6][C:5]=1[NH:11][C:12](=[O:27])[C:13]1[CH:14]=[C:15]([C:23]([F:24])([F:26])[F:25])[CH:16]=[C:17]([C:19]([F:22])([F:20])[F:21])[CH:18]=1
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Komponenten

6

Edukt 4

HCID 962WaterHCID 1118Sulfuric Acid3×HCID 23668193Sodium NitriteHCID 865973994-Amino-2-(3,5-bis-trifluoromethyl-benzoylamino)-benzoic acid methyl ester

Produkt 1

HCID 865974002-(3,5-Bis-trifluoromethyl-benzoylamino)-4-hydroxy-benzoic acid methyl esterAusbeute 76,4 %

Reagenzien, Katalysatoren, Lösungsmittel

1
HCID 6422Trifluoroacetic acidLösungsmittel2×

Versuchsvorschrift

To a solution of 4-amino-2-(3,5-bis-trifluoromethyl-benzoylamino)-benzoic acid methyl ester (1.70 g, 4.18 mmol) in trifluoroacetic acid (25 mL) which has been cooled to 0° C. was slowly added a solution of sodium nitrite (0.35 g, 5.06 mmol in 9 mL of water). In a separate flask, concentrated sulfuric acid (21 m]L) was added to water (50 mL) to make a 30% sulfuric acid solution. After 5 minutes, the trifluoroacetic acid mixture was slowly added to the sulfuric acid solution. After complete addition, the reaction mixture was allowed to stir at ambient temperature for 15 minutes. The reaction mixture was extracted with three portions of ethyl acetate. The organics were combined, dried over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. The crude material was purified by flash chromatography through silica gel using ethyl acetate/hexanes (20/80) to give 2-(3,5-bis-trifluoromethyl-benzoylamino)-4-hydroxy-benzoic acid methyl ester (1.30 g, 76%) as a yellow solid. 1H NMR (400 MHz, DMSO-d6); δ 11.92 (s, 1H), 10.68 (s, 1H), 8.50 (s, 2H), 8.44 (s, 1H), 8.03 (d, 1H), 7.88 (d, 1H), 6.64 (dd, 1H), 3.84 (s, 3H).

Aufarbeitung

  1. additionAfter complete addition
  2. extractionThe reaction mixture was extracted with three portions of ethyl acetate
  3. dry with materialdried over anhydrous magnesium sulfate
  4. filtrationfiltered
  5. concentrationconcentrated under reduced pressure
  6. customThe crude material was purified by flash chromatography through silica gel

Quellen und Nachweise

ORD-Eintrag
ord-41d5020f01a947588c037674d804825d
Quelldatensatz
uspto-grants-2008_09
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07420083B2

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