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CS-W001157 4
Total: USD 88.00

1-Benzyl-1-methyl-4-oxopiperidinium iodide

  • CAS No. 77542-27-9

  • Cat. No. CS-0187789
  • Molecule weight331.19
  • Purity≥98%
  • MDL No.None

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

1-Benzyl-1-methyl-4-oxopiperidinium iodide|CS-0187789

Structure of 77542-27-9

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General Information

  • CAS No. 77542-27-9
  • Cat. No. CS-0187789
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture and light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈INO
  • Molecular Weight 331.19
  • Synonym(s) 1-benzyl-1-methylpiperidin-1-ium-4-one
  • SMILES [I-].O=C1CC[N+](C)(CC=2C=CC=CC2)CC1

Description

1-Benzyl-1-methyl-4-oxopiperidinium iodide features a rigid, electron-deficient piperidinium core that enhances its reactivity in nucleophilic substitution processes. The benzyl and methyl substituents confer improved solubility and stability under standard conditions, enabling efficient use in synthetic transformations requiring charged intermediates.

Application

1-Benzyl-1-methyl-4-oxopiperidinium iodide serves as a versatile electrophilic building block in synthetic organic chemistry, enabling efficient C–C and C–N bond formation under mild conditions. Its stable quaternary ammonium structure facilitates nucleophilic substitution reactions with high functional group tolerance, making it valuable for constructing piperidine-based scaffolds in medicinal chemistry. The compound exhibits excellent bench stability and ease of purification, supporting its use in multi-step syntheses and process-scale applications.

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   -0.9999
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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