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CS-W001157 4
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1-Boc-3-cyano-pyrrolidine

  • CAS No. 476493-40-0

  • Cat. No. CS-D0751
  • Purity≥97%
  • MDL No.MFCD03001709

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

1-Boc-3-cyano-pyrrolidine|CS-D0751

Structure of 476493-40-0

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General Information

  • CAS No. 476493-40-0
  • Cat. No. CS-D0751
  • Purity ≥97%
  • MDL No. MFCD03001709
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆N₂O₂
  • Molecular Weight 196.25
  • Synonym(s) tert-Butyl-3-cyanpyrrolidin-1-carboxylate
  • SMILES N#CC1CN(CC1)C(OC(C)(C)C)=O

Description

1-Boc-3-cyano-pyrrolidine is a bench-stable, moisture-tolerant pyrrolidine derivative featuring a Boc-protected amine and a pendant nitrile group. This combination enables direct incorporation into peptide-like scaffolds or as a building block in medicinal chemistry campaigns requiring polar, electron-deficient heterocycles with defined stereochemistry and enhanced solubility under standard conditions.

Application

1-Boc-3-cyano-pyrrolidine serves as a versatile building block in medicinal chemistry, enabling efficient access to nitrogen-containing heterocycles. The Boc group provides stability and orthogonal deprotection under mild acidic conditions, while the cyano functionality offers a handle for downstream transformations such as hydrolysis, reduction, or nucleophilic addition. Its compatibility with standard coupling reactions and ease of purification make it well-suited for parallel synthesis and API intermediate development.

Safety Information

Download SDS
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   53.33
  • LogP   1.76698
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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