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Triethylamine → 2-[2-(2,5-Dimethyl-phenyl)-acetyl]-5-methoxy-[1,2,5]triazepane-1-carboxylic acid ethyl ester

HRID 924604
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 924604
Cl.[CH2:2]([O:4][C:5]([N:7]1[CH2:13][CH2:12][N:11]([O:14][CH3:15])[CH2:10][CH2:9][NH:8]1)=[O:6])[CH3:3].C(N(CC)CC)C.[CH3:23][C:24]1[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][C:25]=1[CH2:31][C:32](Cl)=[O:33]>CN(C)C1C=CN=CC=1.O1CCCC1>[CH2:2]([O:4][C:5]([N:7]1[CH2:13][CH2:12][N:11]([O:14][CH3:15])[CH2:10][CH2:9][N:8]1[C:32](=[O:33])[CH2:31][C:25]1[CH:26]=[C:27]([CH3:30])[CH:28]=[CH:29][C:24]=1[CH3:23])=[O:6])[CH3:3]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

6

Edukt 3

HCID 8471TriethylamineHCID 22561615(2,5-Dimethylphenyl)acetyl chlorideHCID 867199195-Methoxy-[1,2,5]triazepane-1-carboxylic acid ethyl ester hydrochloride salt

Produkt 1

HCID 867199182-[2-(2,5-Dimethyl-phenyl)-acetyl]-5-methoxy-[1,2,5]triazepane-1-carboxylic acid ethyl ester

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 14284
4-(Dimethylamino)pyridine
Katalysator
HCID 8028TetrahydrofuranLösungsmittel2×

Reaktionsbedingungen

Temperatur
2.5 °C

Versuchsvorschrift

To a solution of 5-methoxy-[1,2,5]triazepane-1-carboxylic acid ethyl ester hydrochloride salt (1.33 g, 4.84 mmol), triethylamine (1.68 ml, 1.22 g, 12.07 mmol) and a catalytic amount of 4-dimethylaminopyridine in tetrahydrofuran (20 ml) at 0-5° C. was added a solution of (2,5-dimethyl-phenyl)-acetyl chloride (0.93 g, 5.09 mmol) in tetrahydrofuran (5 ml) dropwise. The suspension was stirred at 0-5° C. for one hour, and at room temperature for 4 hours. The solvent was evaporated, the residue diluted with ethyl acetate (50 ml) and water (20 ml), the layers separated and the aqueous phase extracted with ethyl acetate (2×25 ml). The combined organic layers were washed with water (2×20 ml) and brine (20 ml), dried over sodium sulfate and concentrated. The residue was purified by chromatography on silica gel (cyclohexane/ethyl acetate 2:1). Yield: 1.1 g of 2-[2-(2,5-dimethyl-phenyl)-acetyl]-5-methoxy-[1,2,5]triazepane-1-carboxylic acid ethyl ester (compound P3.3) as a viscous oil. 1H-NMR (400 MHz, CD3OD): δ 1.14-1.39 (br m, 3H), 2.18 (s, 3H), 2.26 (s, 3H), 2.83-3.09 (br m, 4H), 3.13-3.32 (br m, 2H), 3.48 (s, 3H), 3.62 (br s, 2H), 3.78-4.32 (br m, overlapping signals, total 4H), 6.91 (s, 1H), 6.95 (d, J=7.8 Hz, 1H), 7.03 (d, J=7.8 Hz, 1H) ppm.

Aufarbeitung

  1. waitat room temperature for 4 hours
  2. customThe solvent was evaporated
  3. additionthe residue diluted with ethyl acetate (50 ml) and water (20 ml)
  4. customthe layers separated
  5. extractionthe aqueous phase extracted with ethyl acetate (2×25 ml)
  6. washThe combined organic layers were washed with water (2×20 ml) and brine (20 ml)
  7. dry with materialdried over sodium sulfate
  8. concentrationconcentrated
  9. customThe residue was purified by chromatography on silica gel (cyclohexane/ethyl acetate 2:1)

Quellen und Nachweise

ORD-Eintrag
ord-e380b1e375d0458182d6a2a0d5d85cd1
Quelldatensatz
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09282743B2

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