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CS-W001157 4
Total: USD 88.00

1,1-Cyclohexanediaceticacid

  • CAS No. 4355-11-7

  • Cat. No. CS-W015620
  • Purity≥98%
  • MDL No.MFCD00001519

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

1,1-Cyclohexanediaceticacid|CS-W015620

Structure of 4355-11-7

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General Information

  • CAS No. 4355-11-7
  • Cat. No. CS-W015620
  • Purity ≥98%
  • MDL No. MFCD00001519
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆O₄
  • Molecular Weight 200.23
  • Synonym(s) None
  • SMILES C(C1(CC(O)=O)CCCCC1)C(O)=O

Description

1,1-Cyclohexanediacetic acid features a rigid cyclohexane core bearing two acetic acid side chains at the same carbon, delivering high steric constraint and dual functionality. This configuration enables precise spatial control in ligand design, enhancing binding affinity in chelation applications. The molecule exhibits excellent stability under standard conditions and facilitates efficient derivatization for bioconjugation workflows.

Application

1,1-Cyclohexanediacetic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of functionalized cyclohexane scaffolds through standard carboxylation and derivatization protocols. Its dual carboxylic acid functionality provides orthogonal reactivity for esterification, amide coupling, or salt formation, supporting applications in medicinal chemistry and materials science. The molecule exhibits good bench stability and facilitates straightforward purification via crystallization or chromatography, making it well-suited for iterative synthesis workflows.

Synthesis

  • Route1
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      4355-15-1
    • ~%
    • In-stock
      1,1-Cyclohexanediaceticacid|CS-W015620
      4355-11-7

    References

    • Australian Journal of Chemistry, , vol. 13, p. 129 - 144
  • Route2
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      4355-34-4
    • ~%
    • In-stock
      1,1-Cyclohexanediaceticacid|CS-W015620
      4355-11-7

    References

    • Bulletin de la Societe Chimique de France, , p. 3810 - 3812
  • Route3
    • null|null
      122821-50-5
    • ~%
    • In-stock
      1-(Carboxymethyl)cyclohexanecarboxylic acid|CS-W016910
      67950-95-2
    • In-stock
      1,1-Cyclohexanediaceticacid|CS-W015620
      4355-11-7
    • null|null
      122800-90-2

    References

    • Journal of Organic Chemistry, , vol. 54, # 20 p. 4866 - 4872

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.8863
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   4

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