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CS-W001157 4
Total: USD 88.00

trans-4-tert-Butylcyclohexanoic acid

  • CAS No. 943-29-3

  • Cat. No. CS-0081079
  • Purity≥97%
  • MDL No.None

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

trans-4-tert-Butylcyclohexanoic acid|CS-0081079

Structure of 943-29-3

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General Information

  • CAS No. 943-29-3
  • Cat. No. CS-0081079
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀O₂
  • Molecular Weight 184.28
  • Synonym(s) None
  • SMILES O=C([C@H]1CC[C@H](C(C)(C)C)CC1)O

Description

trans-4-tert-Butylcyclohexanoic acid features a rigid, sterically hindered cyclohexane ring with a bulky tert-butyl group at the 4-position, conferring exceptional stability and low reactivity. This configuration enhances solubility in organic solvents while maintaining excellent bench-stability. The carboxylic acid moiety enables direct coupling reactions or derivatization under mild conditions, making it ideal for synthetic intermediates in medicinal chemistry and materials science applications.

Application

trans-4-tert-Butylcyclohexanoic acid serves as a rigid, sterically defined scaffold for medicinal chemistry and asymmetric synthesis. Its trans configuration enforces a fixed chair conformation, while the bulky tert-butyl group provides enhanced metabolic stability and lipophilicity. The carboxylic acid functionality enables direct derivatization via standard coupling reactions, facilitating access to esters, amides, and other bioactive analogs. Bench-stable and readily purified by recrystallization, it functions reliably in multistep syntheses and serves as a key building block for cyclohexane-based drug candidates.

Synthesis

  • Route1
    • null|null
      201230-82-2
    • null|null
      3178-22-1
    • ~99%
    • In-stock
      trans-4-tert-Butylcyclohexanoic acid|CS-0081079
      943-29-3
    • (1S,4s)-4-(tert-butyl)cyclohexane-1-carboxylic acid|CS-0462440
      943-28-2
    • 3-(tert-Butyl)cyclohexane-1-carboxylic acid|CS-1298682
      13032-38-7
    • 3-(tert-Butyl)cyclohexane-1-carboxylic acid|CS-1298682
      13032-38-7

    References

    • Chemistry Letters, , # 8 p. 1433 - 1436
  • Route2
    • 4-(Tert-butyl)cyclohexane-1-carboxylic acid|CS-0453487
      5451-55-8
    • ~%
    • In-stock
      trans-4-tert-Butylcyclohexanoic acid|CS-0081079
      943-29-3
    • (1S,4s)-4-(tert-butyl)cyclohexane-1-carboxylic acid|CS-0462440
      943-28-2

    References

    • WO2003/93270 A1, ; Page/Page column 35-36 ; WO 03/093270 A1
  • Route3
    • null|null
      19091-08-8
    • ~%
    • In-stock
      trans-4-tert-Butylcyclohexanoic acid|CS-0081079
      943-29-3
    • (1S,4s)-4-(tert-butyl)cyclohexane-1-carboxylic acid|CS-0462440
      943-28-2

    References

    • Journal of Medicinal Chemistry, , vol. 32, # 7 p. 1436 - 1441

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
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   37.3
  • LogP   2.9235
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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