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CS-W001157 4
Total: USD 88.00

trans-1,4-Cyclohexanedicarboxylic acid

  • CAS No. 619-82-9

  • Cat. No. CS-W017613
  • Purity≥95%
  • MDL No.MFCD00066203

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

trans-1,4-Cyclohexanedicarboxylic acid|CS-W017613

Structure of 619-82-9

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General Information

  • CAS No. 619-82-9
  • Cat. No. CS-W017613
  • Purity ≥95%
  • MDL No. MFCD00066203
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₄
  • Molecular Weight 172.18
  • Synonym(s) None
  • SMILES C(O)(=O)[C@H]1CC[C@H](C(O)=O)CC1

Description

trans-1,4-Cyclohexanedicarboxylic acid features a rigid, symmetric cyclohexane core with carboxylic acid groups in trans configuration, enhancing crystallinity and thermal stability. This structural rigidity facilitates predictable coordination in metal-organic frameworks and enables controlled polymerization. The molecule’s defined stereochemistry supports applications in chiral ligand design and functional materials synthesis under standard conditions.

Application

trans-1,4-Cyclohexanedicarboxylic acid serves as a versatile chiral building block in synthetic organic chemistry, enabling the construction of rigid, conformationally defined scaffolds. Its trans-dicarboxylic motif facilitates efficient cyclization reactions and offers predictable stereochemical outcomes in polyfunctional molecule synthesis. The compound exhibits excellent bench stability and compatibility with standard functional group manipulations, making it well-suited for applications in medicinal chemistry and materials science.

Synthesis

  • Route1

    References

    • US2888484 , ;
  • Route2

    References

    • Justus Liebigs Annalen der Chemie, , vol. 245, p. 178
  • Route3
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      1165952-91-9
    • ~%
    • In-stock
      trans-1,4-Cyclohexanedicarboxylic acid|CS-W017613
      619-82-9

    References

    • Journal of Organic Chemistry, , vol. 44, # 2 p. 3474 - 3482

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 : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   0.962
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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