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CS-W001157 4
Total: USD 88.00

1-(Tert-butyl)-4-nitrobenzene

  • CAS No. 3282-56-2

  • Cat. No. CS-0318095
  • Purity≥96%
  • MDL No.MFCD00041253

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

1-(Tert-butyl)-4-nitrobenzene|CS-0318095

Structure of 3282-56-2

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General Information

  • CAS No. 3282-56-2
  • Cat. No. CS-0318095
  • Purity ≥96%
  • MDL No. MFCD00041253
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂
  • Molecular Weight 179.22
  • Synonym(s) 4-Nitro-tert-butylbenzene
  • SMILES CC(C)(C)C1=CC=C(C=C1)[N+](=O)[O-]

Description

1-(Tert-butyl)-4-nitrobenzene features a para-nitro group flanked by a sterically hindered tert-butyl substituent, delivering enhanced stability and solubility in organic media. This electronic modulation enables efficient incorporation into synthetic routes requiring electron-deficient aromatic intermediates.

Application

1-(Tert-butyl)-4-nitrobenzene serves as a robust synthetic building block for nitroarene functionalization, enabling selective reduction to the corresponding aniline derivative under standard conditions. Its tert-butyl group provides steric protection and enhances solubility in organic media, facilitating purification and handling. The molecule exhibits excellent bench stability and compatibility with common coupling reactions, making it a practical intermediate for constructing substituted benzene scaffolds in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Saito, Shinichi; Koizumi, Yuichiro Tetrahedron Letters, 2005 , vol. 46, # 28 p. 4715 - 4717
  • Route2
    • null|null
      247018-51-5
    • ~89%
    • In-stock
      1-(Tert-butyl)-4-nitrobenzene|CS-0318095
      3282-56-2

    References

    • Fors, Brett P.; Buchwald, Stephen L. Journal of the American Chemical Society, 2009 , vol. 131, # 36 p. 12898 - 12899
  • Route3

    References

    • Journal of the Chemical Society - Perkin Transactions 1, , # 10 p. 1589 - 1590

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.8923
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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