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CS-W001157 4
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Phenyl(pyrrolidin-1-yl)methanone

  • CAS No. 3389-54-6

  • Cat. No. CS-0451353
  • Purity≥98%
  • MDL No.None

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

Phenyl(pyrrolidin-1-yl)methanone|CS-0451353

Structure of 3389-54-6

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General Information

  • CAS No. 3389-54-6
  • Cat. No. CS-0451353
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO
  • Molecular Weight 175.23
  • Synonym(s) Pyrrolizinophenyl ketone
  • SMILES C1=CC=C(C=C1)C(=O)N2CCCC2

Description

Phenyl(pyrrolidin-1-yl)methanone features a pyrrolidinyl group attached to a carbonyl-linked phenyl ring, delivering high lipophilicity and enhanced membrane permeability. This structural motif enables efficient integration into bioactive scaffolds, particularly in medicinal chemistry campaigns targeting CNS-penetrant molecules. The compound exhibits bench-stable handling characteristics under standard conditions.

Application

Phenyl(pyrrolidin-1-yl)methanone serves as a versatile benzoyl equivalent in synthetic organic chemistry, enabling efficient amide bond formation under mild conditions. Its pyrrolidine-derived acyl group exhibits favorable reactivity in nucleophilic acyl substitution, facilitating the construction of complex amides and heterocyclic scaffolds. The compound demonstrates bench stability, ease of handling, and compatibility with diverse functional groups, making it a practical choice for medicinal chemistry campaigns and process-scale synthesis.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   1.9226
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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