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4-Fluorobenzaldehyde → Rac-3-cyclopentyl-3-(4-fluoro-benzylamino)-propionic acid methyl ester

HRID 1515987
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1515987
C[Si](C=[N+]=[N-])(C)C.C(O[C:13]([NH:15][CH:16]([CH:21]1[CH2:25][CH2:24][CH2:23][CH2:22]1)[CH2:17][C:18]([OH:20])=[O:19])=O)(C)(C)C.[F:26][C:27]1[CH:34]=[CH:33][C:30](C=O)=[CH:29][CH:28]=1.[C:35]([O-])(=O)C.[Na+].C([BH3-])#N.[Na+]>C(OCC)C.C1(C)C=CC=CC=1.CO.C1C=CC=CC=1>[CH3:35][O:20][C:18](=[O:19])[CH2:17][CH:16]([CH:21]1[CH2:22][CH2:23][CH2:24][CH2:25]1)[NH:15][CH2:13][C:30]1[CH:33]=[CH:34][C:27]([F:26])=[CH:28][CH:29]=1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

9

Edukt 5

HCID 680234-FluorobenzaldehydeHCID 167693TrimethylsilyldiazomethaneHCID 517045Sodium AcetateHCID 5003444Sodium cyanoborohydrideHCID 223093393-((tert-Butoxycarbonyl)amino)-3-cyclopentylpropanoic acid

Produkt 1

HCID 58000258
Rac-3-cyclopentyl-3-(4-fluoro-benzylamino)-propionic acid methyl ester
Ausbeute 28,3 %

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 1140TolueneLösungsmittelHCID 3283Diethyl EtherLösungsmittelHCID 21927730Benzene methanolLösungsmittel

Reaktionsbedingungen

Temperatur
25 °C

Versuchsvorschrift

(Trimethylsilyl)diazomethane (10.3 mL of a 1.0 M solution in diethyl ether, 20.6 mmol) was added over 5 min to a solution of racemic 3-tert-butoxycarbonylamino-3-cyclopentyl-propionic acid (2.65 g, 10.3 mmol) in a 1:1 mixture of methanol/benzene (130 mL) at 0° C. The resulting yellow solution was allowed to warm to 25° C. over 3.5 h, and then was concentrated in vacuo. The residue was dissolved in 1,4-dioxane (20 mL) at 25° C. and a 4.0 M solution of hydrochloric acid in 1,4-dioxane (15 mL) was subsequently added. After stirring at 25° C. for 16 h, the reaction mixture was concentrated in vacuo to afford a sticky oil. This material was dissolved in toluene (80 mL) and the solution was concentrated in vacuo (the process was then repeated). The resulting residue was dissolved in methanol (75 mL) at 25° C. and 4-fluorobenzaldehyde (1.10 mL, 10.3 mmol), sodium acetate (1.69 g, 20.6 mmol), powdered/activated 4 Å molecular sieves (2.0 g) and sodium cyanoborohydride (1.29 g, 20.5 mmol) were added sequentially. The mixture was stirred at 25° C. for 23 h, and then was filtered through Celite. The filtrate was partitioned between half-saturated aqueous sodium bicarbonate solution (150 mL) and ethyl acetate (2×150 mL). The combined organic layers were dried over sodium sulfate and were concentrated in vacuo. The residue was purified by flash column chromatography (Teledyne Isco RediSep column; 0-70% ethyl acetate in hexanes) to afford rac-3-cyclopentyl-3-(4-fluoro-benzylamino)-propionic acid methyl ester (0.812 g, 2.91 mmol, 28%) as a pale yellow oil. 1H NMR (400 MHz, CDCl3) δ: 1.16-1.30 (1H, m), 1.52-1.66 (2H, m), 1.69-1.76 (1H, m), 1.81-1.88 (1H, m), 1.95-2.03 (1H, m), 2.47 (1H, dd, J1=7.0 Hz, J2=14.9 Hz), 2.55 (1H, dd, J1=4.6 Hz, J2=14.8 Hz), 2.87-2.92 (1H, m), 3.68 (3H, s), 3.73 (1H, d, J=12.2 Hz), 3.81 (1H, d, J=12.1 Hz), 6.96-7.00 (2H, m), 7.27-7.31 (2H, m).

Aufarbeitung

  1. concentrationwas concentrated in vacuo
  2. dissolutionThe residue was dissolved in 1,4-dioxane (20 mL) at 25° C.
  3. additiona 4.0 M solution of hydrochloric acid in 1,4-dioxane (15 mL) was subsequently added
  4. concentrationthe reaction mixture was concentrated in vacuo
  5. customto afford a sticky oil
  6. concentrationthe solution was concentrated in vacuo (the process
  7. dissolutionThe resulting residue was dissolved in methanol (75 mL) at 25° C.
  8. stirringThe mixture was stirred at 25° C. for 23 h
  9. filtrationwas filtered through Celite
  10. customThe filtrate was partitioned between half-saturated aqueous sodium bicarbonate solution (150 mL) and ethyl acetate (2×150 mL)
  11. dry with materialThe combined organic layers were dried over sodium sulfate
  12. concentrationwere concentrated in vacuo
  13. customThe residue was purified by flash column chromatography (Teledyne Isco RediSep column; 0-70% ethyl acetate in hexanes)

Quellen und Nachweise

ORD-Eintrag
ord-3f13cd31487c4bec99fd2c0d4781c097
Quelldatensatz
uspto-grants-2012_07
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08222404B2

Notizen zur Reaktion

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