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CS-W001157 4
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trans-4-Carbomethoxycyclohexane-1-carboxylic acid

  • CAS No. 15177-67-0

  • Cat. No. CS-D1137
  • Purity≥97%
  • MDL No.MFCD01311247

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

trans-4-Carbomethoxycyclohexane-1-carboxylic acid|CS-D1137

Structure of 15177-67-0

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General Information

  • CAS No. 15177-67-0
  • Cat. No. CS-D1137
  • Purity ≥97%
  • MDL No. MFCD01311247
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₄
  • Molecular Weight 186.21
  • Synonym(s) Monomethyl trans-1,4-cyclohexanedicarboxylate
  • SMILES O=C(O)[C@@H]1CC[C@@H](C(OC)=O)CC1

Description

trans-4-Carbomethoxycyclohexane-1-carboxylic acid features a rigid, substituted cyclohexane core with orthogonal ester and carboxylic acid functionalities. This configuration enables predictable conformational behavior in synthetic transformations, particularly in asymmetric synthesis and molecular scaffold development. The compound exhibits enhanced solubility in organic media and stability under standard bench conditions, facilitating its use in iterative coupling reactions and as a building block for bioactive molecule libraries.

Synthesis

  • Route1

    References

    • PIRAMAL LIFE SCIENCES LIMITED; SHARMA, Rajiv; KADAM, Kishorkumar Shivajirao; JADHAV, Ravindra Dnyandev; KANDRE, Shivaji Sadashiv; GUPTE, Amol Patent: WO2012/29032 A2, 2012 ; Location in patent: Example 129 ; WO 2012/029032 A2
  • Route2
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      186581-53-3
    • In-stock
      trans-1,4-Cyclohexanedicarboxylic acid|CS-W017613
      619-82-9
    • ~%
    • In-stock
      trans-4-Carbomethoxycyclohexane-1-carboxylic acid|CS-D1137
      15177-67-0

    References

    • Journal of the American Chemical Society, , vol. 107, # 5 p. 1365 - 1369
  • Route3

    References

    • Journal of Physical Chemistry, , vol. 97, # 37 p. 9280 - 9287

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

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.0504
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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