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CS-W001157 4
Total: USD 88.00

(1S,2R)-2-(methoxycarbonyl)cyclohexane-1-carboxylic acid

  • CAS No. 111955-05-6

  • Cat. No. CS-W000702
  • Purity≥98%
  • MDL No.MFCD01311242

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

(1S,2R)-2-(methoxycarbonyl)cyclohexane-1-carboxylic acid|CS-W000702

Structure of 111955-05-6

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General Information

  • CAS No. 111955-05-6
  • Cat. No. CS-W000702
  • Purity ≥98%
  • MDL No. MFCD01311242
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₄
  • Molecular Weight 186.21
  • Synonym(s) (1s,2r)-2-(Methoxycarbonyl)cyclohexanecarboxylic acid
  • SMILES COC(=O)C1CCCCC1C(=O)O

Description

cis-2-Carbomethoxycyclohexanecarboxylic acid features a rigid, conformationally locked cyclohexane scaffold with strategically positioned ester and carboxylic acid groups. This arrangement enhances stereochemical control in synthetic transformations, enabling precise incorporation into complex molecular architectures. The compound exhibits favorable solubility in organic solvents and stability under standard bench conditions, facilitating its use in medicinal chemistry and asymmetric synthesis workflows.

Application

cis-2-Carbomethoxycyclohexanecarboxylic acid serves as a valuable chiral building block in synthetic organic chemistry, enabling the construction of bioactive heterocycles and pharmaceutical intermediates. Its rigid cis-cyclohexane framework provides defined stereochemistry, while the carboxylic acid and ester functionalities offer orthogonal reactivity for derivatization. The compound exhibits excellent bench stability and facilitates efficient functional group manipulation, making it well-suited for medicinal chemistry campaigns and scalable synthesis workflows.

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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