StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Reaktion

Sodium Chloride → 4-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid [6-(3-diethylamino-propoxy)-pyridin-3-yl]-amide

HRID 23434
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 23434
[O:1]=[C:2]1[CH2:10][CH2:9][CH2:8][C:7]2[NH:6][N:5]=[C:4]([C:11]([OH:13])=O)[C:3]1=2.Cl.CN(C)CCCN=C=NCC.[CH2:26]([N:28]([CH2:40][CH3:41])[CH2:29][CH2:30][CH2:31][O:32][C:33]1[N:38]=[CH:37][C:36]([NH2:39])=[CH:35][CH:34]=1)[CH3:27].[Na+].[Cl-].C(=O)([O-])[O-].[Na+].[Na+]>CN(C1C=CN=CC=1)C.ClCCl.CN(C=O)C>[CH2:40]([N:28]([CH2:26][CH3:27])[CH2:29][CH2:30][CH2:31][O:32][C:33]1[N:38]=[CH:37][C:36]([NH:39][C:11]([C:4]2[C:3]3[C:2](=[O:1])[CH2:10][CH2:9][CH2:8][C:7]=3[NH:6][N:5]=2)=[O:13])=[CH:35][CH:34]=1)[CH3:41]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

9

Edukt 5

HCID 5234Sodium ChlorideHCID 10340Sodium CarbonateHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 114239274-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acidHCID 225742766-(3-Diethylamino-propoxy)-pyridin-3-ylamine

Produkt 1

HCID 10293467
4-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid [6-(3-diethylamino-propoxy)-pyridin-3-yl]-amide

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 142844-(Dimethylamino)pyridineKatalysatorHCID 6228DimethylformamideLösungsmittelHCID 6344DichloromethaneLösungsmittel

Reaktionsbedingungen

Temperatur
40 °C

Versuchsvorschrift

A solution of 4-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (2.25 g, 12 mmol), 1-(3-dimethylaminopropyl-3-ethylcarbodiimide hydrochloride (2.87 g, 15 mmol), DMAP (1.83 g, 15 mmol), and DMF (10 mL) in dichloromethane (40 mL) is stirred under nitrogen at 20° C. for 2 hours. 6-(3-Diethylamino-propoxy)-pyridin-3-ylamine (2.50 g, 11.2 mmol) is added. The mixture is stirred under nitrogen at 40° C. for 24 hours; and then poured into 10% NaCl, treated with 1 M sodium carbonate to pH 10, and extracted with chloroform (100 mL). The solution is concentrated, diluted with xylenes (100 mL), and the volatiles are thoroughly evaporated under reduced pressure. The residue is purified by column chromatography on silica gel using a mixture of chloroform-methanol-30% ammonium hydroxide (90:9:1, v/v/v) as an eluent and the residue is recrystallized from ethyl acetate to give pure 4-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid [6-(3-diethylamino-propoxy)-pyridin-3-yl]-amide. 1H NMR (CD3OD) t, J=7.1 Hz, 6H), 1.97 (m, 2H), 2.25 (quintet, J=6.3 Hz, 2H), 2.62 (q, J=7.1 Hz, 4H), 2.71 (m, 4H), 2.99 (t, J=6.3 Hz, 2H), 4.03 (t, J=6.3 Hz, 2H), 6.81 (dd, J=8.9 and 0.5 Hz, 1H), 8.12 (dd, J=8.9 and 2.7 Hz, 1H), 8.56 (dd, J=2.7 and 0.5 Hz, 1H). MW 385.471; MS (M−H)− 384.

Aufarbeitung

  1. extractionextracted with chloroform (100 mL)
  2. concentrationThe solution is concentrated
  3. additiondiluted with xylenes (100 mL)
  4. customthe volatiles are thoroughly evaporated under reduced pressure
  5. customThe residue is purified by column chromatography on silica gel using
  6. additiona mixture of chloroform-methanol-30% ammonium hydroxide (90:9:1, v/v/v) as an eluent
  7. customthe residue is recrystallized from ethyl acetate

Quellen und Nachweise

ORD-Eintrag
ord-3dd516a960d3493aa634626ac6bd813a
Quelldatensatz
uspto-grants-2005_02
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US06852730B2

Notizen zur Reaktion

Wird geladen…

Auf dieser SeiteKomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion