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CS-W001157 4
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Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate

  • CAS No. 110928-44-4

  • Cat. No. CS-D1138
  • Purity≥97%
  • MDL No.MFCD03840884

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

Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate|CS-D1138

Structure of 110928-44-4

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General Information

  • CAS No. 110928-44-4
  • Cat. No. CS-D1138
  • Purity ≥97%
  • MDL No. MFCD03840884
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₃
  • Molecular Weight 172.22
  • Synonym(s) trans-Methyl 4-(hydroxyMethyl)cyclohexanecarboxylate
  • SMILES OC[C@@H]1CC[C@@H](C(OC)=O)CC1

Description

Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate features a rigid cyclohexane ring with a trans-configured hydroxymethyl and ester group, enabling precise stereochemical control in synthetic applications. This bench-stable derivative integrates readily into complex molecule architectures, particularly in natural product synthesis and medicinal chemistry scaffolds.

Application

Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate serves as a versatile chiral building block in synthetic organic chemistry, enabling efficient access to functionalized cyclohexane scaffolds. The trans-configured cyclohexane ring provides defined stereochemistry for downstream transformations, while the pendant hydroxymethyl and ester groups offer orthogonal reactivity—facilitating selective derivatization, oxidation, or coupling reactions. Its bench-stable nature and compatibility with standard purification methods make it well-suited for medicinal chemistry campaigns and process development workflows.

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 : 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   0.9581
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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