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Iodine → 4,5,6,7-tetrahydro-3-iodo-N-methoxy-N,5,5-trimethyl-benzo[c]thiophene-1-carboxamide

HRID 1665950
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1665950
C(NC(C)C)(C)C.C([Li])CCC.[CH3:13][O:14][N:15]([CH3:29])[C:16]([C:18]1[S:19][CH:20]=[C:21]2[CH2:26][C:25]([CH3:28])([CH3:27])[CH2:24][CH2:23][C:22]=12)=[O:17].[I:30]I>C1COCC1>[CH3:13][O:14][N:15]([CH3:29])[C:16]([C:18]1[S:19][C:20]([I:30])=[C:21]2[CH2:26][C:25]([CH3:27])([CH3:28])[CH2:24][CH2:23][C:22]=12)=[O:17]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

6

Edukt 4

HCID 807IodineHCID 7912DiisopropylamineHCID 598608664,5,6,7-tetrahydro-N-methoxy-N,5,5-trimethyl-benzo[c]thiophene-1-carboxamideHCID 178418339Butyllithium

Produkt 1

HCID 598608624,5,6,7-tetrahydro-3-iodo-N-methoxy-N,5,5-trimethyl-benzo[c]thiophene-1-carboxamideAusbeute 52,2 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028TetrahydrofuranLösungsmittel3×

Reaktionsbedingungen

Temperatur
-78 °C

Versuchsvorschrift

To a solution of diisopropylamine (11.02 g, 109 mmol) in THF (400 mL) is added n-butyl lithium (72.7 mL, 109 mmol, 1.5 M in pentane) at 0-5° C. The solution is cooled to −78° C. and a solution of 5,5-dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid methoxy-methyl-amide (23 g, 91 mmol) in THF (100 mL) is added. Upon complete addition, the mixture is stirred for 20 min at −78° C. before a solution of iodine (30 g, 119 mmol) in THF (100 mL) is added. Stirring is continued at −78° C. for 30 min. The reaction is quenched by slowly adding a 1:1 mixture of water/methanol (20 mL). The solution is diluted with water (400 mL) and extracted with diethyl ether (3×100 mL). The combined organic extracts are washed with 10% aq. citric acid solution and brine, dried over Na2SO4, filtered and evaporated. The crude product is purified by CC on silica gel eluting with DCM to afford 3-iodo-5,5-dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid methoxy-methyl-amide (18 g) as a brownish oil; LC-MS: tR=1.09 min, [M+1]=380.21.

Aufarbeitung

  1. additionUpon complete addition
  2. additionis added
  3. customThe reaction is quenched
  4. additionby slowly adding
  5. additiona 1:1 mixture of water/methanol (20 mL)
  6. additionThe solution is diluted with water (400 mL)
  7. extractionextracted with diethyl ether (3×100 mL)
  8. washThe combined organic extracts are washed with 10% aq. citric acid solution and brine
  9. dry with materialdried over Na2SO4
  10. filtrationfiltered
  11. customevaporated
  12. customThe crude product is purified by CC on silica gel eluting with DCM

Quellen und Nachweise

ORD-Eintrag
ord-42340bc6cb9b49ea9fb0f00f0837fe96
Quelldatensatz
uspto-grants-2011_10
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08039644B2

Notizen zur Reaktion

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