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CS-W001157 4
Total: USD 88.00

Ethyl 2-(1-hydroxycyclohexyl)acetate

  • CAS No. 5326-50-1

  • Cat. No. CS-0151611
  • Molecule weight186.25
  • Purity≥98%
  • MDL No.MFCD00095227

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

Ethyl 2-(1-hydroxycyclohexyl)acetate|CS-0151611

Structure of 5326-50-1

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General Information

  • CAS No. 5326-50-1
  • Cat. No. CS-0151611
  • Purity ≥98%
  • MDL No. MFCD00095227
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₈O₃
  • Molecular Weight 186.25
  • Synonym(s) Ethyl(1-hydroxycyclohexyl)acetate
  • SMILES CCOC(=O)CC1(CCCCC1)O

Description

Ethyl 2-(1-hydroxycyclohexyl)acetate features a cyclohexanol-derived chiral center paired with an ester-functionalized side chain, enabling direct incorporation into asymmetric synthesis. The pendant hydroxyl group offers a handle for derivatization, while the ester moiety supports selective transformations under mild conditions. This structure combines stability with reactivity, making it suitable for building complex molecular architectures in medicinal chemistry and natural product synthesis.

Application

Ethyl 2-(1-hydroxycyclohexyl)acetate serves as a versatile building block for cyclohexyl-containing scaffolds, enabling efficient access to functionalized terpenoid-like architectures. The pendant hydroxyl group facilitates selective derivatization, while the ester functionality supports transformations such as reduction, hydrolysis, or coupling reactions. Its bench-stable nature and compatibility with standard purification methods make it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      108-94-1
    • null|null
      105-36-2
    • ~93%
    • In-stock
      Ethyl 2-(1-hydroxycyclohexyl)acetate|CS-0151611
      5326-50-1

    References

    • Makosza, Mieczyslaw; Grela, Karol; Fabianowski, Wojciech Tetrahedron, 1996 , vol. 52, # 28 p. 9575 - 9580
  • Route2
    • null|null
      108-94-1
    • null|null
      105-39-5
    • ~87%
    • In-stock
      Ethyl 2-(1-hydroxycyclohexyl)acetate|CS-0151611
      5326-50-1

    References

    • Csuk, Rene; Fuerstner, Alois; Weidmann, Hans Journal of the Chemical Society, Chemical Communications, 1986 , # 10 p. 775
  • Route3
    • Ethyl 2-diazo-2-(1-hydroxycyclohexyl)acetate|CS-1070255
      27262-60-8
    • ~88%
    • In-stock
      Ethyl 2-(1-hydroxycyclohexyl)acetate|CS-0151611
      5326-50-1

    References

    • Pellicciari, Roberto; Natalini, Benedetto; Cecchetti, Sergio; Fringuelli, Renata Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 493 - 498

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   46.53
  • LogP   1.6348
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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