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CS-W001157 4
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1-Methyl-1,4-diazabicyclo[2.2.2]octan-1-ium iodide

  • CAS No. 14968-74-2

  • Cat. No. CS-0697805
  • Molecule weight254.11
  • Purity≥98%
  • MDL No.None

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

1-Methyl-1,4-diazabicyclo[2.2.2]octan-1-ium iodide|CS-0697805

Structure of 14968-74-2

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General Information

  • CAS No. 14968-74-2
  • Cat. No. CS-0697805
  • 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 C₇H₁₅IN₂
  • Molecular Weight 254.11
  • Synonym(s) None
  • SMILES [I-].C[N+]12CCN(CC1)CC2

Description

1-Methyl-1,4-diazabicyclo[2.2.2]octan-1-ium iodide delivers a potent, bench-stable onium salt with enhanced solubility in polar media. This quaternary nitrogen system enables efficient phase-transfer catalysis and stabilizes reactive intermediates in synthetic transformations. Its iodide counterion facilitates clean ion exchange and promotes reactivity in aqueous or mixed solvent systems.

Application

1-Methyl-1,4-diazabicyclo[2.2.2]octan-1-ium iodide serves as a robust, bench-stable source of the 1-methyl-1,4-diazabicyclo[2.2.2]octane (MDO) scaffold, enabling efficient deprotonation and base-catalyzed transformations in synthetic organic chemistry. Its high solubility and functional group tolerance facilitate use in nucleophilic substitutions, cyclizations, and metal-free C–H activation protocols. This reagent functions as a versatile, non-nucleophilic base in multistep syntheses and is particularly valuable for constructing nitrogen-rich heterocycles and pharmaceutical intermediates.

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   3.24
  • LogP   -3.2338
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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