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Methyl methoxyacetate → 3-Hydroxy-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-7-yl}-propionic Acid Methyl Ester

HRID 855958
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 855958
[CH3:1][O:2][C:3](=[O:7])[CH2:4][O:5][CH3:6].C(N(C(C)C)C(C)C)C.[CH3:17][C:18]1[O:22][C:21]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)=[N:20][C:19]=1[CH2:29][CH2:30][O:31][C:32]1[C:40]2[CH:39]=[CH:38][S:37][C:36]=2[C:35]([CH:41]=[O:42])=[CH:34][CH:33]=1>C1COCC1.ClCCl.[Ti](Cl)(Cl)(Cl)Cl>[CH3:1][O:2][C:3](=[O:7])[CH:4]([O:5][CH3:6])[CH:41]([OH:42])[C:35]1[C:36]2[S:37][CH:38]=[CH:39][C:40]=2[C:32]([O:31][CH2:30][CH2:29][C:19]2[N:20]=[C:21]([C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[O:22][C:18]=2[CH3:17])=[CH:33][CH:34]=1
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 3

HCID 80507Methyl methoxyacetateHCID 81531DiisopropylethylamineHCID 111759364-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophene-7-carbaldehyde

Produkt 1

HCID 589954383-Hydroxy-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-7-yl}-propionic Acid Methyl EsterAusbeute 127,6 %

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 24193
Titanium Tetrachloride
Katalysator
HCID 6344DichloromethaneLösungsmittel
HCID 8028TetrahydrofuranLösungsmittel

Versuchsvorschrift

To a solution of 3.17 ml methoxyacetic acid methyl ester (31.4 mmol) in 30 ml of THF, 3.5 ml of titanium tetrachloride (31.4 mmol) was added dropwise within 15 min at 0° C. After stirring the yellow solution for additional 15 min at the same temperature, 6.0 ml of N-ethyldiisopropylamine (34.1 mmol) were added within 5 min and the yellow/orange solution stirred for additional 15 min. A solution of 5.00 g of 4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-7-carbaldehyde (13.66 mmol) in 70 ml of dichloromethane was added dropwise within 20 min and the the reaction mixture was stirred for additional 60 min. The reaction solution was allowed to warm up to r.t. and stirred the same temperature for 90 min, cooled to 0° C. and treated with 50 ml of ice water. The organic layer was separated, washed with 25 ml water, dried over sodium sulfate and evaporated to dryness to yield 8.15 g of crude 3-Hydroxy-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-7-yl}-propionic acid methyl ester ((syn/anti=6:4) as an orange oil. After this intermediate was dissolved at r.t. in 50 ml of DMF, 1.20 ml of conc. sulfuric acid (10.5 mmol) were added and the resulting dark brown solution was stirred at 100° C. for 17 h. The reaction solution was cooled to r.t., whereas the product crystallized. 50 ml of ethanol were added and the suspension stirred for 1 h at 0° C. The white crystals were filtered off, washed with 75 ml of cold (−15° C.) methanol in two portions and dried to constant weight (20° C./5 mbar/16 h) to afford 3.82 g (61%) of the title compound with a purity of 98.6% (GC area).

Aufarbeitung

  1. additionwere added within 5 min
  2. stirringthe the reaction mixture was stirred for additional 60 min
  3. stirringstirred the same temperature for 90 min
  4. temperaturecooled to 0° C.
  5. customThe organic layer was separated
  6. washwashed with 25 ml water
  7. dry with materialdried over sodium sulfate
  8. customevaporated to dryness

Quellen und Nachweise

ORD-Eintrag
ord-f4fcc5d957ab4c6ea04e15fce27c0ad0
Quelldatensatz
uspto-grants-2007_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07262303B2

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