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CS-W001157 4
Total: USD 88.00

(1R,6S)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylic acid

  • CAS No. 88335-93-7

  • Cat. No. CS-0102864
  • Purity≥97%
  • MDL No.None

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

(1R,6S)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylic acid|CS-0102864

Structure of 88335-93-7

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General Information

  • CAS No. 88335-93-7
  • Cat. No. CS-0102864
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂O₄
  • Molecular Weight 184.19
  • Synonym(s) 6-methoxycarbonyl-3-cyclohexene-1-carboxylic acid
  • SMILES O=C([C@@H]1[C@H](C(O)=O)CC=CC1)OC

Description

This cyclohexene derivative features a strategically positioned methoxycarbonyl group and carboxylic acid functionality, enabling direct integration into synthetic routes requiring both ester and acid handles. The rigid, unsaturated backbone provides defined stereochemistry for asymmetric synthesis applications.

Application

(1R,6S)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylic acid serves as a versatile chiral building block for the synthesis of substituted cyclohexane derivatives and heterocyclic scaffolds. Its conjugated diene system enables Diels-Alder reactions with high stereoselectivity, while the orthogonal functionality of the ester and carboxylic acid groups supports sequential transformations. Bench-stable and amenable to purification by standard chromatography, it facilitates efficient access to complex molecular architectures in medicinal chemistry and natural product synthesis.

Safety Information

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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 : P302+P352-P304+P340-P362-P501

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   0.8264
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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