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CS-W001157 4
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methyl 3-{[(tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylate

  • CAS No. 676371-64-5

  • Cat. No. CS-W001057
  • Purity≥95%
  • MDL No.MFCD24476148

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

methyl 3-{[(tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylate|CS-W001057

Structure of 676371-64-5

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General Information

  • CAS No. 676371-64-5
  • Cat. No. CS-W001057
  • Purity ≥95%
  • MDL No. MFCD24476148
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉NO₄
  • Molecular Weight 241.28
  • Synonym(s) methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[1.1.1]pentane-1-carboxylate
  • SMILES COC(=O)C12CC(C1)(C2)NC(=O)OC(C)(C)C

Description

Methyl 3-{[(tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylate features a rigid, strained bicyclic scaffold that imparts exceptional conformational control. The tert-butoxycarbonyl group enables stable protection of the amine, while the methyl ester supports downstream functionalization. This compound integrates readily into synthetic sequences requiring steric shielding and defined geometry.

Application

Methyl 3-{[(tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylate serves as a stable, bench-ready building block for the construction of strained bicyclic scaffolds. The tert-butyl carbamate (Boc) group enables orthogonal protection of amines, while the ester functionality supports downstream transformations. Its rigid, three-dimensional core facilitates efficient incorporation into complex molecular architectures, particularly in medicinal chemistry campaigns requiring enhanced metabolic stability and defined stereochemistry.

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   64.63
  • LogP   1.6068
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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