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Pyridine → HCID 59015863, Verbindung

HRID 968837
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 968837
[CH2:1]([O:3][C:4]([C:6]([CH3:21])([O:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][CH2:16][CH2:17][C:18]([OH:20])=O)=[CH:11][CH:10]=1)[CH3:7])=[O:5])[CH3:2].C(Cl)(=O)C(Cl)=O.CS(O)(=O)=O.[F:33][C:34]1[CH:35]=[C:36]([CH2:41][N:42]([C:44]([NH2:46])=[O:45])[NH2:43])[CH:37]=[C:38]([F:40])[CH:39]=1.N1C=CC=CC=1>C(OCC)(=O)C.CN(C=O)C>[CH2:1]([O:3][C:4]([C:6]([CH3:7])([O:8][C:9]1[CH:10]=[CH:11][C:12]([CH2:15][CH2:16][CH2:17][C:18]([NH:43][N:42]([CH2:41][C:36]2[CH:37]=[C:38]([F:40])[CH:39]=[C:34]([F:33])[CH:35]=2)[C:44]([NH2:46])=[O:45])=[O:20])=[CH:13][CH:14]=1)[CH3:21])=[O:5])[CH3:2]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 4

HCID 1049PyridineHCID 65578Oxalyl chlorideHCID 23584129HCID 23584129, VerbindungHCID 86628487HCID 86628487, Verbindung

Produkt 1

HCID 59015863HCID 59015863, VerbindungAusbeute 70 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 6228
Dimethylformamide
Lösungsmittel
HCID 8857Ethyl AcetateLösungsmittel4×

Versuchsvorschrift

To 4-[4-(1Ethoxycarbonyl-1-methylethoxy)phenyl]butyric acid (1.0072 g, 3.42 mmol) in ethyl acetate (10 mL) at rt was added DMF (1 pipette drop), followed by oxalyl chloride (0.728 g, 5.73 mmol) dropwise over 5 min. The resulting solution was stirred for 30 min at rt, then concentrated to an oil. The oil was twice reconstituted into toluene (20 mL) and concentrated to an oil, then dissolved in ethyl acetate (3 mL). 1-(3,5-Difluorophenylmethyl)hydrazine carboxamide methanesulfonate (1.025 g, 3.45 mmol) was suspended in ethyl acetate (10 mL) at 0° C., and pyridine (0.65 mL, 636 mg, 8.04 mmol) was added. The solution of acid chloride in ethyl acetate was then added dropwise over 15 min, and the resulting mixture stirred for 30 min at 0° C. The mixture was then diluted with ethyl acetate and washed with 1 N HCl (2×) followed by sat'd aq. NaCl. It was then dried (MgSO4), filtered and concentrated to an oil, which was chromatographed on silica gel (ethyl acetate) to afford the title compound as a solid (1.1436 g, 70%): mp 108.1-109.4° C.; 1H NMR (DMSO-d6, 60° C.) δ 9.73 (s, 1 H), 7.00 (m, 5 H), 6.70 (d, 2 H, J=6.5 Hz), 6.03 (s, 2 H), 4.54 (br s, 2 H), 4.15 (q, 2 H, J=7 Hz), 2.45 (m, 2 H), 2.09 (m, 2 H), 1.74 (m, 2 H), 1.48 (s, 6 H), 1.17 (t, 3 H, J=7 Hz); 13C NMR (DMSO-d6) δ 174.0, 172.0, 162.5 (dd, J=244, 13 Hz), 159.2, 153.8, 144.1, 135.8, 129.7, 119.4, 111.3 (d, J=25 Hz), 102.8 (t, J=26 Hz), 79.2, 51.1, 47.3, 34.3, 33.1, 27.0, 25.7, 14.6; IR (KBr) 3456, 3324, 1726, 1643, 1509, 1445 cm−1; Anal. Calcd. for C24H29N3O5F2: C, 60.37; H, 6.12; N, 8.80; F, 7.96. Found: C, 60.48; H, 6.28; N, 8.67; F, 7.75.

Aufarbeitung

  1. concentrationconcentrated to an oil
  2. concentrationconcentrated to an oil
  3. dissolutiondissolved in ethyl acetate (3 mL)
  4. stirringthe resulting mixture stirred for 30 min at 0° C
  5. washwashed with 1 N HCl (2×)
  6. dry with materialIt was then dried (MgSO4)
  7. filtrationfiltered
  8. concentrationconcentrated to an oil, which
  9. customwas chromatographed on silica gel (ethyl acetate)

Quellen und Nachweise

ORD-Eintrag
ord-0f966153983247e29bc27103cd3e22e9
Quelldatensatz
uspto-grants-2007_12
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07304062B2

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