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Methyl 3-hydroxycyclohexane-1-carboxylate

  • CAS No. 37722-82-0

  • Cat. No. CS-0130000
  • Molecule weight158.19
  • Purity≥95%
  • MDL No.MFCD11975826

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

Methyl 3-hydroxycyclohexane-1-carboxylate|CS-0130000

Structure of 37722-82-0

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General Information

  • CAS No. 37722-82-0
  • Cat. No. CS-0130000
  • Purity ≥95%
  • MDL No. MFCD11975826
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₃
  • Molecular Weight 158.19
  • Synonym(s) Methyl 3-hydroxycyclohexanecarboxylate
  • SMILES O=C(C1CC(O)CCC1)OC

Description

Methyl 3-hydroxycyclohexane-1-carboxylate features a cyclohexane ring bearing both hydroxyl and ester functionalities in a 1,3-relationship. This configuration enables stereocontrolled synthesis in natural product chemistry, where the axial-equatorial preference of the substituents influences reaction pathways. The molecule exhibits enhanced solubility in polar organic solvents and maintains stability under standard bench conditions. Its dual functionality facilitates sequential transformations in complex molecule assembly.

Application

Methyl 3-hydroxycyclohexane-1-carboxylate serves as a versatile chiral building block in synthetic organic chemistry, enabling stereoselective transformations via its pendant hydroxyl and ester functionalities. The molecule exhibits good bench stability and facilitates downstream modifications such as oxidation, protection, or coupling reactions. Its cyclohexane scaffold provides a rigid framework well-suited for medicinal chemistry applications and heterocycle synthesis, with predictable stereochemistry at the C3 position.

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   46.53
  • LogP   0.7105
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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