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CS-W001157 4
Total: USD 88.00

4-tert-Butylanisole

  • CAS No. 5396-38-3

  • Cat. No. CS-0071956
  • Purity≥98%
  • MDL No.None

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

4-tert-Butylanisole|CS-0071956

Structure of 5396-38-3

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General Information

  • CAS No. 5396-38-3
  • Cat. No. CS-0071956
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆O
  • Molecular Weight 164.24
  • Synonym(s) None
  • SMILES CC(C)(C)C1=CC=C(OC)C=C1

Description

4-tert-Butylanisole features a sterically hindered tert-butyl group para to an aromatic methoxy moiety, conferring enhanced stability and reduced reactivity in electrophilic substitution. This robust scaffold serves as a valuable building block in synthetic organic chemistry, particularly in the development of functionalized aromatics for materials science and pharmaceutical intermediates.

Application

4-tert-Butylanisole serves as a valuable building block in synthetic organic chemistry, offering enhanced steric bulk and electronic stability due to the ortho-directed tert-butyl group. It functions effectively in electrophilic aromatic substitution reactions, demonstrates excellent bench stability, and facilitates straightforward purification. Its robust structure makes it suitable for use in pharmaceutical intermediates and functional materials synthesis.

Synthesis

  • Route1
    • null|null
      98-54-4
    • null|null
      74-88-4
    • ~89%
    • In-stock
      4-tert-Butylanisole|CS-0071956
      5396-38-3

    References

    • Verkerk, Udo; Fujita, Megumi; Dzwiniel, Trevor L.; McDonald, Robert; Stryker, Jeffrey M. Journal of the American Chemical Society, 2002 , vol. 124, # 34 p. 9988 - 9989
  • Route2
    • null|null
      98-54-4
    • In-stock
      DMF-DMA|CS-0016065
      4637-24-5
    • ~64%
    • In-stock
      4-tert-Butylanisole|CS-0071956
      5396-38-3

    References

    • Belov, Pavel; Campanella, Veronica L.; Smith, Alison W.; Priefer, Ronny Tetrahedron Letters, 2011 , vol. 52, # 21 p. 2776 - 2779
  • Route3
    • null|null
      98-54-4
    • null|null
      77-78-1
    • ~83%
    • In-stock
      4-tert-Butylanisole|CS-0071956
      5396-38-3

    References

    • Coleman, M. Todd; Leblanc, Gabriel Organic Process Research and Development, 2010 , vol. 14, # 3 p. 732 - 736

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   2.9927
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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