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Ethyl 3-iodobicyclo[1.1.1]pentane-1-carboxylate

  • CAS No. 1936371-35-5

  • Cat. No. CS-0078493
  • Purity≥95%
  • MDL No.None

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

Ethyl 3-iodobicyclo[1.1.1]pentane-1-carboxylate|CS-0078493

Structure of 1936371-35-5

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General Information

  • CAS No. 1936371-35-5
  • Cat. No. CS-0078493
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁IO₂
  • Molecular Weight 266.08
  • Synonym(s) None
  • SMILES O=C(C1(C2)CC2(I)C1)OCC

Description

Ethyl 3-iodobicyclo[1.1.1]pentane-1-carboxylate delivers a rigid, electron-deficient scaffold ideal for C–H functionalization and cross-coupling. The strained bicyclic core enhances reactivity, while the iodo group enables palladium-catalyzed transformations. This bench-stable reagent integrates readily into complex molecule synthesis.

Application

Ethyl 3-iodobicyclo[1.1.1]pentane-1-carboxylate serves as a versatile, bench-stable building block for constructing sterically constrained scaffolds in medicinal chemistry. The iodo group enables efficient Pd-catalyzed cross-coupling reactions, while the bicyclo[1.1.1]pentane core imparts enhanced metabolic stability and improved physicochemical properties. Its functional group tolerance and ease of purification facilitate integration into complex molecular architectures.

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-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.9072
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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