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CS-W001157 4
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cis-3-(Methoxycarbonyl)cyclohexanecarboxylic acid

  • CAS No. 733742-58-0

  • Cat. No. CS-0049728
  • Molecule weight186.21
  • Purity≥98%
  • MDL No.None

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

cis-3-(Methoxycarbonyl)cyclohexanecarboxylic acid|CS-0049728

Structure of 733742-58-0

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General Information

  • CAS No. 733742-58-0
  • Cat. No. CS-0049728
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₄
  • Molecular Weight 186.21
  • Synonym(s) cis-3-Carbomethoxycyclohexane-1-carboxylic acid
  • SMILES O=C([C@H]1C[C@@H](C(OC)=O)CCC1)O

Description

cis-3-(Methoxycarbonyl)cyclohexanecarboxylic acid features a rigid, conformationally locked cyclohexane ring with strategically positioned ester and carboxylic acid groups. This spatial arrangement enhances its utility in asymmetric synthesis and molecular scaffold design, offering predictable stereochemical outcomes. The molecule exhibits favorable solubility and stability under standard bench conditions.

Application

cis-3-(Methoxycarbonyl)cyclohexanecarboxylic acid serves as a valuable chiral building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its defined stereochemistry enables predictable reactivity in cyclization and coupling processes, while the orthogonal functionality of the carboxylic acid and ester groups supports sequential transformations. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in iterative synthetic sequences targeting complex cyclic frameworks.

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

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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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