6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylnicotinamide | CAS No. 720690-73-3

6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylnicotinamide

Basic Information

CAS Number

720690-73-3

Molecular Formula

C21H25N3O2

Molecular Weight

351.45 g/mol

AD

Basic Physical Properties

CNC(=O)C1=CN=C(C=C1)OC2=CC3=C(CCN(CC3)C4CCC4)C=C2

InChI

InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)

InChIKey

WROHEWWOCPRMIA-UHFFFAOYSA-N

LogP

3.186600000000002

Topological Polar Surface Area

54.46 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

482

Synonyms & References

English

  • GSK-189254 free base
  • 6-((3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy)-N-methyl-3-pyridinecarboxamide
  • MS-25443
  • BCP29549
  • 5T4TX6CO53
  • 6-((3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)oxy)-N-methylnicotinamide
  • GSK-189254
  • GTPL10736
  • CS-6206
  • Q5514566
  • BDBM50247054
  • GSK 189254A; GSK-189254A;GSK189254;GSK-189254;GSK 189254
  • Z281777806
  • 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
  • VDB69073
  • GSK189254GSK189254
  • 3-Pyridinecarboxamide, 6-((3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy)-N-methyl-
  • GSK189254
  • WROHEWWOCPRMIA-UHFFFAOYSA-N
  • 720690-73-3
  • AC-36239
  • GSK 189254A
  • A935062
  • EX-A1905
  • GSK189254A
  • CHEMBL517140
  • UNII-5T4TX6CO53
  • 6-[(3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
  • 6-(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yloxy)-N-methyl-nicotinamide
  • 854485-15-7
  • 6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yloxy)-N-methylnicotinamide

MDL Number

MFCD16987635

FAQ

What are the physical and chemical properties of 6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylnicotinamide (CAS: 720690-73-3)?

6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylnicotinamide is a white to off-white solid with a molecular weight of approximately 450.47 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and dimethylformamide. This compound is reactive with bases and can undergo hydrolysis. It is stable under normal storage conditions but should be protected from moisture and light.

How is 6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylnicotinamide (CAS: 720690-73-3) typically synthesized?

6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylnicotinamide is synthesized through multistep processes, typically involving the synthesis of the 2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl group, followed by coupling with 6-methylnicotinoyl chloride. Common catalysts and reagents include triethylamine and pyridine. The final step involves purification by recrystallization from ethanol or a suitable solvent mixture.

What industries use 6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylnicotinamide (CAS: 720690-73-3)?

6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylnicotinamide is primarily used in the pharmaceutical industry for the development of potential therapeutic agents. It may also find applications in the sensor industry due to its unique chemical properties. Further research is ongoing to explore its potential in other fields such as polymers and materials science.

What precautions should be taken when handling 6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylnicotinamide (CAS: 720690-73-3)?

When handling 6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylnicotinamide, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbent materials, and proper disposal methods should be followed. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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