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CS-W001157 4
Total: USD 88.00

2-(Tert-butyl)-1-methyl-5-nitro-1H-indole

  • CAS No. 952664-81-2

  • Cat. No. CS-0467404
  • Molecule weight232.28
  • Purity≥98%
  • MDL No.MFCD11111083

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

2-(Tert-butyl)-1-methyl-5-nitro-1H-indole|CS-0467404

Structure of 952664-81-2

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General Information

  • CAS No. 952664-81-2
  • Cat. No. CS-0467404
  • Purity ≥98%
  • MDL No. MFCD11111083
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆N₂O₂
  • Molecular Weight 232.28
  • Synonym(s) 2-Tert-butyl-1-methyl-5-nitro-1H-indole
  • SMILES CC(C)(C)C1=CC2=CC(=CC=C2N1C)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      952664-80-1
    • ~98%
    • 2-(Tert-butyl)-1-methyl-5-nitro-1H-indole|CS-0467404
      952664-81-2

    References

    • Hadida Ruah, Sara S.; Grootenhuis, Peter D.J.; Van Goor, Frederick; Zhou, Jinglan; Bear, Brian; Miller, Mark T.; McCartney, Jason; Numa, Mehdi Michel Jamel Patent: US2007/244159 A1, 2007 ; Location in patent: Page/Page column 116-117 ;
  • Route2
    • null|null
      917-92-0
    • ~%
    • 2-(Tert-butyl)-1-methyl-5-nitro-1H-indole|CS-0467404
      952664-81-2

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;
  • Route3
    • (2-Bromo-4-nitrophenyl)methanamine|CS-0269274
      1184618-20-9
    • ~%
    • 2-(Tert-butyl)-1-methyl-5-nitro-1H-indole|CS-0467404
      952664-81-2

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;

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   48.07
  • LogP   3.384
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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