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CS-W001157 4
Total: USD 88.00

Ondansetron impurity 6

  • CAS No. 99614-64-9

  • Cat. No. CS-0312068
  • Purity≥97%
  • MDL No.MFCD08063682

*For research and further manufacturing use only, not for direct human use.

Ondansetron impurity 6|CS-0312068

Structure of 99614-64-9

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General Information

  • CAS No. 99614-64-9
  • Cat. No. CS-0312068
  • Purity ≥97%
  • MDL No. MFCD08063682
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃NO
  • Molecular Weight 211.26
  • Synonym(s) None
  • SMILES O=C1C(=C)CCC2=C1C=3C=CC=CC3N2C

Description

Natural occurrence: Guava, grape, brandy, rum, whiskey, sherry, red and white wines, Scotch and Canadian whiskey.Vanillic acid is a phenolic derivative, which is generally used as a flavoring agent in food products. It can be used in the synthesis of a well-known flavoring agent vanillin.

Application

9-Methyl-3-methylene-2,3-dihydro-1H-carbazol-4(9H)-one serves as a versatile scaffold for constructing carbazole-based heterocycles and bioactive molecules. Its enone functionality enables Michael additions and conjugate functionalization, while the exocyclic methylene group supports Diels-Alder reactions and palladium-catalyzed couplings. Bench-stable and amenable to purification via flash chromatography, it functions effectively in multi-step syntheses targeting pharmaceutical intermediates and materials precursors.

Synthesis

  • Route1
    • null|null
      50-00-0
    • 1,2,3,9-Tetrahydro-9-methyl-4H-carbazole-4-one Ondansetron Impurity|CS-0229595
      27387-31-1
    • ~79%
    • In-stock
      Ondansetron impurity 6|CS-0312068
      99614-64-9

    References

    • Gutman, Daniella; Cyjon, Rosa Patent: US2006/41004 A1, 2006 ; Location in patent: Page/Page column 7; 8 ;
  • Route2
    • In-stock
      1,3,5-Trimethyl-1,3,5-triazinane|CS-0440581
      108-74-7
    • 1,2,3,9-Tetrahydro-9-methyl-4H-carbazole-4-one Ondansetron Impurity|CS-0229595
      27387-31-1
    • ~62%
    • In-stock
      Ondansetron impurity 6|CS-0312068
      99614-64-9

    References

    • YUHAN CORPORATION Patent: WO2005/37823 A1, 2005 ; Location in patent: Page/Page column 10-11 ;
  • Route3
    • 1,2,3,9-Tetrahydro-9-methyl-4H-carbazole-4-one Ondansetron Impurity|CS-0229595
      27387-31-1
    • null|null
      51-80-9
    • ~87%
    • In-stock
      Ondansetron impurity 6|CS-0312068
      99614-64-9

    References

    • YUHAN CORPORATION Patent: WO2005/37823 A1, 2005 ; Location in patent: Page/Page column 11 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   22
  • LogP   2.8634
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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