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1-Butanol → HCID 69203597, Verbindung

HRID 1394113
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1394113
[CH2:1]([O:3][C:4](=[O:20])[CH2:5][C:6]([C:8]1[CH:13]=[CH:12][C:11]([CH:14]2[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]2)=[CH:10][CH:9]=1)=O)[CH3:2].[NH2:21][C:22]1[CH:31]=[CH:30][C:25]([NH:26][C:27](=[O:29])[CH3:28])=[CH:24][CH:23]=1.[CH2:32](O)[CH2:33]CC>Cl.NC1C=CC(NC(=O)C)=CC=1.O>[CH2:1]([O:3][C:4](=[O:20])[CH:5]=[C:6]([NH:21][C:22]1[CH:23]=[CH:24][C:25]([NH:26][C:27](=[O:29])[CH3:28])=[CH:30][CH:31]=1)[C:8]1[CH:13]=[CH:12][C:11]([CH:14]2[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]2)=[CH:10][CH:9]=1)[CH2:2][CH2:32][CH3:33]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

6

Edukt 3

HCID 2631-Butanol2×HCID 312304-AminoacetanilideHCID 68884378Ethyl 3-(4-cyclohexylphenyl)-3-oxopropanoate

Produkt 1

HCID 69203597HCID 69203597, VerbindungAusbeute 98 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 170722Acetamide, N-(4-aminophenyl)-, hydrochloride (1:1)Katalysator
HCID 962WaterLösungsmittel

Reaktionsbedingungen

Temperatur
400 °C

Versuchsvorschrift

Into a 1 liter single-neck round-bottom flask equipped with a Soxhlet extractor apparatus with condenser, magnetic stirrer and nitrogen inlet was placed 50.25 g (0.183 moles) of 3-(4-cyclohexylphenyl)-3-oxo-propionic acid ethyl ester, 25 g (0.167 moles) of 4′-aminoacetanilide, 1.55 g (0.008 moles) 4′-aminoacetanilide hydrochloride salt and 500 mL of dry n-butanol. Into the Soxhlet thimble (33×118 mm) was placed highly activated 4A sieves (1.7-2.4 mm beads). These sieves are activated immediately before use under high vacuum with heating (400° C. for 30 min). The mixture was then brought to reflux such that the butanol azeotropically removed water, driving the equilibrium reaction, and the water was removed from the butanol by the sieves before being returned to the reaction pot. The reaction was allowed to continue for 48 hrs. It was necessary to replace the charge of sieves after the first 24 hrs. Transesterification to the butyl ester along with removal of ethanol occurs concomitantly with enamine formation. After 48 hrs the reaction pot was cooled, then placed in a −40° C. freezer and crystals were allowed to form over 24 hrs. The crystals were collected by vacuum filtration and the solids washed with cold ethanol. The product was then dried in a vacuum oven to give 73.8 g (98%) of the desired enamine.

Aufarbeitung

  1. customInto a 1 liter single-neck round-bottom flask equipped with a Soxhlet extractor apparatus with condenser, magnetic stirrer and nitrogen inlet
  2. customthe equilibrium reaction
  3. customthe water was removed from the butanol by the sieves
  4. additioncharge of sieves after the first 24 hrs
  5. customTransesterification to the butyl ester along with removal of ethanol
  6. customAfter 48 hrs the reaction
  7. temperaturepot was cooled
  8. customplaced in a −40° C.
  9. customto form over 24 hrs
  10. filtrationThe crystals were collected by vacuum filtration
  11. washthe solids washed with cold ethanol
  12. customThe product was then dried in a vacuum oven

Quellen und Nachweise

ORD-Eintrag
ord-7473060d52764e9b82fd31be1abb903c
Quelldatensatz
uspto-grants-2008_03
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07348340B2

Notizen zur Reaktion

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