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Hydrochloric Acid → 4-Amino-3-fluoro-2-(2-methyl-4-trifluoromethoxy-phenylamino)-5-nitro-benzoic acid methyl ester

HRID 504179
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 504179
[CH3:1][O:2][C:3](=[O:16])[C:4]1[CH:9]=[C:8]([N+:10]([O-:12])=[O:11])[C:7]([NH2:13])=[C:6]([F:14])[C:5]=1F.[CH3:17][C:18]1[CH:23]=[C:22]([O:24][C:25]([F:28])([F:27])[F:26])[CH:21]=[CH:20][C:19]=1[NH2:29].Cl>C(OCC)C>[CH3:1][O:2][C:3](=[O:16])[C:4]1[CH:9]=[C:8]([N+:10]([O-:12])=[O:11])[C:7]([NH2:13])=[C:6]([F:14])[C:5]=1[NH:29][C:19]1[CH:20]=[CH:21][C:22]([O:24][C:25]([F:26])([F:27])[F:28])=[CH:23][C:18]=1[CH3:17]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 313Hydrochloric AcidHCID 2759749Benzoic acid, 4-amino-2,3-difluoro-5-nitro-, methyl esterHCID 27755462-Methyl-4-(trifluoromethoxy)aniline

Produkt 1

HCID 866216094-Amino-3-fluoro-2-(2-methyl-4-trifluoromethoxy-phenylamino)-5-nitro-benzoic acid methyl ester

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 3283Diethyl Ether
Lösungsmittel

Reaktionsbedingungen

Temperatur
140 °C

Versuchsvorschrift

4-Amino-2,3-difluoro-5-nitro-benzoic acid methyl ester 4 (0.50 g, 2.15 mmol) is suspended in xylenes (3 mL) and 2-methyl-4-trifluoromethoxy-phenylamine (1.00 g, 5.23 mmol) is added. The reaction mixture is stirred at 140° C. under N2. After stirring for 7 days, the reaction is a mixture of starting material and product. The reaction mixture is cooled to room temperature. The reaction mixture is poured into a separatory funnel and diethyl ether and 10% aqueous HCl are added and the layers separated. The aqueous phase is extracted with three portions of diethyl ether. The combined diethyl ether layers are dried (MgSO4) and concentrated under reduced pressure. The residue is redissolved in methylene chloride and flushed through a plug of silica gel eluting with methylene chloride. The filtrate is concentrated under reduced pressure to give a bright yellow solid. The solid is washed with diethyl ether and the filtrate is concentrated under reduced pressure and the residue is further purified by FCC (eluting with 100% methylene chloride) to yield 0.39 g (45%) of the desired pure product as a yellow solid. MS APCI (−) m/z 402 (M−1) detected.

Aufarbeitung

  1. stirringAfter stirring for 7 days
  2. additiona mixture of starting material and product
  3. temperatureThe reaction mixture is cooled to room temperature
  4. additionThe reaction mixture is poured into a separatory funnel
  5. customthe layers separated
  6. extractionThe aqueous phase is extracted with three portions of diethyl ether
  7. dry with materialThe combined diethyl ether layers are dried (MgSO4)
  8. concentrationconcentrated under reduced pressure
  9. dissolutionThe residue is redissolved in methylene chloride
  10. customflushed through a plug of silica gel eluting with methylene chloride
  11. concentrationThe filtrate is concentrated under reduced pressure
  12. customto give a bright yellow solid
  13. washThe solid is washed with diethyl ether
  14. concentrationthe filtrate is concentrated under reduced pressure
  15. customthe residue is further purified by FCC (eluting with 100% methylene chloride)

Quellen und Nachweise

ORD-Eintrag
ord-482e6934a1514bb0ad7bdda4f7594c89
Quelldatensatz
uspto-grants-2010_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07777050B2

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