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CS-W001157 4
Total: USD 88.00

4-(tert-Butyl)cyclohexanol

  • CAS No. 98-52-2

  • Cat. No. CS-W010920
  • Molecule weight156.27
  • Purity≥98%
  • MDL No.MFCD00001473

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

4-(tert-Butyl)cyclohexanol|CS-W010920

Structure of 98-52-2

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General Information

  • CAS No. 98-52-2
  • Cat. No. CS-W010920
  • Purity ≥98%
  • MDL No. MFCD00001473
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₂₀O
  • Molecular Weight 156.27
  • Synonym(s) Hexahydro-p-tert-butylphenol (cis- and trans- mixture)
  • SMILES CC(C)(C)C1CCC(O)CC1

Description

4-(tert-Butyl)cyclohexanol features a sterically hindered tertiary butyl group at the 4-position of the cyclohexanol ring, conferring exceptional stability and reduced reactivity. This structural motif enhances its utility as a robust chiral building block in asymmetric synthesis and pharmaceutical intermediates, where controlled functionality and resistance to decomposition are critical.

Application

4-(tert-Butyl)cyclohexanol serves as a versatile, bench-stable building block in organic synthesis, offering a sterically hindered tertiary alcohol functionality within a rigid cyclohexane framework. Its stability and ease of purification facilitate use in protecting group strategies, asymmetric synthesis, and the construction of complex cyclic architectures. The tert-butyl substituent enhances solubility and provides steric shielding, enabling selective functionalization at the hydroxyl group under standard conditions.

Synthesis

  • Route1
    • null|null
      98-54-4
    • ~99%
    • In-stock
      4-(tert-Butyl)cyclohexanol|CS-W010920
      98-52-2

    References

    • US6388149 B2, ; Page column 17 ;
  • Route2
    • null|null
      80356-16-7
    • ~10%
    • In-stock
      4-(tert-Butyl)cyclohexanol|CS-W010920
      98-52-2

    References

    • Bulletin of the Chemical Society of Japan, , vol. 58, # 4 p. 1347 - 1348
  • Route3
    • null|null
      92976-55-1
    • ~96%
    • In-stock
      4-(tert-Butyl)cyclohexanol|CS-W010920
      98-52-2

    References

    • Journal of the Indian Chemical Society, , vol. 75, # 10-12 p. 565 - 567

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   20.23
  • LogP   2.5836
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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