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CS-W001157 4
Total: USD 88.00

1,4-Di-tert-butylbenzene

  • CAS No. 1012-72-2

  • Cat. No. CS-0128337
  • Purity≥98%
  • MDL No.MFCD00008836

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

1,4-Di-tert-butylbenzene|CS-0128337

Structure of 1012-72-2

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General Information

  • CAS No. 1012-72-2
  • Cat. No. CS-0128337
  • Purity ≥98%
  • MDL No. MFCD00008836
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₂
  • Molecular Weight 190.32
  • Synonym(s) None
  • SMILES CC(C)(C)C1=CC=C(C(C)(C)C)C=C1

Description

1,4-Di-tert-butylbenzene features two bulky tert-butyl groups positioned at opposite ends of a benzene ring, conferring exceptional steric protection and thermal stability. This configuration enhances resistance to oxidation and facilitates use in high-temperature synthetic environments. The molecule serves as a robust scaffold for constructing sterically congested architectures in organic synthesis and materials science applications.

Application

1,4-Di-tert-butylbenzene serves as a sterically hindered aromatic building block in synthetic chemistry, enabling the construction of bulky, electron-rich scaffolds. Its two tert-butyl groups provide exceptional thermal and oxidative stability, facilitating use in high-temperature reactions and as a robust template for ortho-functionalization. The compound exhibits excellent bench stability and ease of purification, making it ideal for iterative synthesis workflows requiring persistent steric protection or as a structural motif in advanced materials and catalyst design.

Synthesis

  • Route1
    • null|null
      115-11-7
    • null|null
      71-43-2
    • ~%
    • In-stock
      1,4-Di-tert-butylbenzene|CS-0128337
      1012-72-2

    References

    • Journal of the American Chemical Society, , vol. 57, p. 883
  • Route2
    • null|null
      39000-62-9
    • ~%
    • In-stock
      1,4-Di-tert-butylbenzene|CS-0128337
      1012-72-2
    • null|null
      5009-02-9
    • null|null
      86943-87-5

    References

    • Journal of Organic Chemistry, , vol. 48, p. 4186 - 4190
  • Route3
    • null|null
      86943-88-6
    • ~%
    • In-stock
      1,4-Di-tert-butylbenzene|CS-0128337
      1012-72-2
    • null|null
      5009-02-9
    • null|null
      86943-87-5

    References

    • Journal of Organic Chemistry, , vol. 48, p. 4186 - 4190

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H400-H410
Precautionary Statements : P273-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   4.2816
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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