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Triethylamine → 6-Methyl-pyrazine-2-carboxylic acid {3-[(pyridine-2-carbonyl)-amino]-adamantan-1-yl}-amide

HRID 1942240
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Reaktionsgleichung

Reaktionsgleichung von HRID 1942240
[NH2:1][C:2]12[CH2:11][CH:6]3[CH2:7][CH:8]([CH2:10][C:4]([NH:12][C:13]([C:15]4[CH:20]=[CH:19][CH:18]=[CH:17][N:16]=4)=[O:14])([CH2:5]3)[CH2:3]1)[CH2:9]2.[CH3:21][C:22]1[N:27]=[C:26]([C:28](O)=[O:29])[CH:25]=[N:24][CH:23]=1.C1CN([P+](ON2N=NC3C=CC=CC2=3)(N2CCCC2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F.C(N(CC)CC)C.C(=O)(O)[O-].[Na+]>C(Cl)Cl>[N:16]1[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=1[C:13]([NH:12][C:4]12[CH2:10][CH:8]3[CH2:7][CH:6]([CH2:11][C:2]([NH:1][C:28]([C:26]4[CH:25]=[N:24][CH:23]=[C:22]([CH3:21])[N:27]=4)=[O:29])([CH2:9]3)[CH2:3]1)[CH2:5]2)=[O:14]
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Komponenten

7

Edukt 5

HCID 8471TriethylamineHCID 4708976-Methylpyrazine-2-carboxylic acidHCID 516892Sodium BicarbonateHCID 2724699PyBOPHCID 58358509Pyridine-2-carboxylic acid (3-amino-adamantan-1-yl)-amide2×

Produkt 1

HCID 44634001
6-Methyl-pyrazine-2-carboxylic acid {3-[(pyridine-2-carbonyl)-amino]-adamantan-1-yl}-amide
Ausbeute 74,5 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6344DichloromethaneLösungsmittel2×

Versuchsvorschrift

To a round bottom flask was added pyridine-2-carboxylic acid (3-amino-adamantan-1-yl)-amide (3.10 g, 11.0 mmol, Intermediate 2), 6-methylpyrazine-2-carboxylic acid (1.83 g, 13.3 mmol; RihaChcm, Kostalov, Czech Republic) and methylene chloride (120 mL). To the solution was then added PyBOP® (6.90 g, 13.3 mmol) followed by triethylamine (3.85 mL, 27.6 mmol) and the reaction was stirred for two hours at room temperature. The reaction was transferred to a 500-mL separatory funnel with methylene chloride (50 mL) and saturated aqueous sodium bicarbonate (150 mL), and extracted with methylene chloride. The organic layer was separated and the aqueous layer was extracted again with methylene chloride (2×75 mL). The combined organic layers were washed with brine (150 mL), dried over sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified on a RP-HPLC/MS purification system (Gradient: acetonitrile in water, 27-95%, in 3.5 min with a shallow gradient from 30-60% between 0.75-3.4 min and a cycle time of 5 min. Flow rate: 100 mL/min. Mobile phase additive: 38 mM of ammonium acetate. Column: Inertsil® C8, 30×50 mm, 5 μm particle size (GL Sciences, Tokyo, Japan). Mobile phase and column temperature: 50° C.). Fractions were then concentrated under reduced pressure to remove most of the acetonitrile, the resulting aqueous layer was made basic with solid sodium carbonate (pH>10) and the aqueous layer was extracted with ethyl acetate (3×200 mL). The combined organic layers were washed with brine, dried over sodium sulfate, filtered and concentrated under reduced pressure to afford 3.21 g (74%) of the title compound, 6-methyl-pyrazine-2-carboxylic acid {3-[(pyridine-2-carbonyl)-amino]-adamantan-1-yl}-amide, as a white solid. 1H NMR (400 MHz, CDCl3) δ 9.17 (s, 1H), 8.58 (s, 1H), 8.54-8.50 (m, 1H), 8.17 (dt, J=7.8, 1.0 Hz, 1H), 8.06 (br s, 1H), 7.85 (td, J=7.7, 1.7 Hz, 1H), 7.77 (br s, 1H), 7.42 (ddd, J=7.6, 4.8, 1.3 Hz, 1H), 2.61-2.57 (m, 5H), 2.40-2.28 (m, 4H), 2.27-2.19 (m, 2H), 2.18-2.08 (m, 4H), 1.78-1.68 (m, 2H). ESI-MS m/z: 392.0 (M+H)+.

Aufarbeitung

  1. extractionextracted with methylene chloride
  2. customThe organic layer was separated
  3. extractionthe aqueous layer was extracted again with methylene chloride (2×75 mL)
  4. washThe combined organic layers were washed with brine (150 mL)
  5. dry with materialdried over sodium sulfate
  6. filtrationfiltered
  7. concentrationconcentrated under reduced pressure
  8. customThe residue was purified on a RP-HPLC/MS purification system (Gradient
  9. waitacetonitrile in water, 27-95%, in 3.5 min with a shallow gradient from 30-60% between 0.75-3.4 min
  10. customa cycle time of 5 min
  11. custom50° C.
  12. concentrationFractions were then concentrated under reduced pressure
  13. customto remove most of the acetonitrile
  14. extractionthe aqueous layer was extracted with ethyl acetate (3×200 mL)
  15. washThe combined organic layers were washed with brine
  16. dry with materialdried over sodium sulfate
  17. filtrationfiltered
  18. concentrationconcentrated under reduced pressure

Quellen und Nachweise

ORD-Eintrag
ord-4371a1cea6a64a98bfd9bd1eee27beeb
Quelldatensatz
uspto-grants-2013_03
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08389519B2

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