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CS-W001157 4
Total: USD 88.00

1-(3,3-Dimethyl-6-nitroindolin-1-yl)ethanone

  • CAS No. 453562-68-0

  • Cat. No. CS-M3749
  • Purity≥96%
  • MDL No.MFCD07636645

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

1-(3,3-Dimethyl-6-nitroindolin-1-yl)ethanone|CS-M3749

Structure of 453562-68-0

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General Information

  • CAS No. 453562-68-0
  • Cat. No. CS-M3749
  • Purity ≥96%
  • MDL No. MFCD07636645
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂O₃
  • Molecular Weight 234.25
  • Synonym(s) None
  • SMILES O=[N+](C1=CC2=C(C=C1)C(C)(C)CN2C(C)=O)[O-]

Synthesis

  • Route1
    • null|null
      453562-67-9
    • ~93%
    • In-stock
      1-(3,3-Dimethyl-6-nitroindolin-1-yl)ethanone|CS-M3749
      453562-68-0

    References

    • Liu, Pingli; Huang, Liang; Lu, Yuelie; Dilmeghani, Mina; Baum, Jean; Xiang, Tingjian; Adams, Jeff; Tasker, Andrew; Larsen, Rob; Faul, Margaret M. Tetrahedron Letters, 2007 , vol. 48, # 13 p. 2307 - 2310
  • Route2
    • null|null
      75-36-5
    • In-stock
      3,3-Dimethyl-6-nitro-2,3-dihydro-1H-indole|CS-0028058
      179898-72-7
    • ~81%
    • In-stock
      1-(3,3-Dimethyl-6-nitroindolin-1-yl)ethanone|CS-M3749
      453562-68-0

    References

    • AMGEN INC.; KING, Anthony; LARSEN, Robert; LI, Tj; LU, Yuelie Patent: WO2010/71828 A2, 2010 ; Location in patent: Page/Page column 14-15 ;
  • Route3
    • N-(2-(Tert-butyl)-5-nitrophenyl)acetamide|CS-1164783
      342045-15-2
    • ~70%
    • In-stock
      1-(3,3-Dimethyl-6-nitroindolin-1-yl)ethanone|CS-M3749
      453562-68-0

    References

    • Neumann, Julia J.; Rakshit, Souvik; Droge, Thomas; Glorius, Frank Angewandte Chemie, International Edition, 2009 , vol. 48, # 37 p. 6892 - 6895 Angewandte Chemie, 2009 , vol. 121, # 37 p. 7024 - 7027

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   63.45
  • LogP   2.2389
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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