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(S)-Pyrrolidine-3-carbonitrile hydrochloride

  • CAS No. 1153950-49-2

  • Cat. No. CS-0053245
  • Molecule weight132.59
  • Purity≥97%
  • MDL No.None

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

(S)-Pyrrolidine-3-carbonitrile hydrochloride|CS-0053245

Structure of 1153950-49-2

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General Information

  • CAS No. 1153950-49-2
  • Cat. No. CS-0053245
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉ClN₂
  • Molecular Weight 132.59
  • Synonym(s) (3S)-pyrrolidine-3-carbonitrile hydrochloride
  • SMILES N#C[C@H]1CCNC1.Cl

Description

(S)-Pyrrolidine-3-carbonitrile hydrochloride features a chiral pyrrolidine core with a nitrile group at the 3-position, offering high stereochemical purity for asymmetric synthesis. This bench-stable salt delivers enhanced solubility in aqueous and polar organic media, enabling efficient incorporation into medicinal chemistry campaigns and catalytic transformations.

Application

(S)-Pyrrolidine-3-carbonitrile hydrochloride serves as a versatile chiral building block in medicinal chemistry, enabling the synthesis of pyrrolidine-containing scaffolds prevalent in bioactive molecules. Its well-defined stereochemistry and bench-stable hydrochloride salt facilitate handling and purification. The nitrile group offers direct access to amides and carboxylic acids via hydrolysis, while the secondary amine functions effectively in alkylation and reductive amination reactions, supporting diverse functionalization strategies in drug discovery workflows.

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   35.82
  • LogP   0.54128
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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