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CS-W001157 4
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1-Boc-3-(cyanomethyl)pyrrolidine

  • CAS No. 142253-46-1

  • Cat. No. CS-0005401
  • Purity≥95%
  • MDL No.MFCD06738464

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

1-Boc-3-(cyanomethyl)pyrrolidine|CS-0005401

Structure of 142253-46-1

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General Information

  • CAS No. 142253-46-1
  • Cat. No. CS-0005401
  • Purity ≥95%
  • MDL No. MFCD06738464
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₈N₂O₂
  • Molecular Weight 210.27
  • Synonym(s) Tert-butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate
  • SMILES N#CCC1CN(CC1)C(OC(C)(C)C)=O

Description

1-Boc-3-(cyanomethyl)pyrrolidine features a pyrrolidine core bearing both a Boc-protected amine and a cyanomethyl substituent, enabling sequential functionalization in medicinal chemistry. The nitrile group offers a handle for derivatization via hydrolysis or nucleophilic addition, while the Boc moiety ensures stability during synthesis. This bifunctional scaffold supports rapid access to complex heterocyclic architectures under standard conditions.

Application

1-Boc-3-(cyanomethyl)pyrrolidine serves as a versatile building block for the synthesis of pyrrolidine-based scaffolds in medicinal chemistry. The Boc group provides stability and orthogonal protection, while the cyanomethyl functionality enables downstream transformations such as nucleophilic addition, cyclization, or conversion to amide or carboxylic acid derivatives. Its bench-stable nature and compatibility with standard coupling and reduction protocols facilitate efficient access to complex heterocyclic 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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

  • TPSA   53.33
  • LogP   2.15708
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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