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CS-W001157 4
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N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminium hexafluorophosphate(V)

  • CAS No. 249561-98-6

  • Cat. No. CS-W005317
  • Purity≥97%
  • MDL No.MFCD08458255

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

N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminium hexafluorophosphate(V)|CS-W005317

Structure of 249561-98-6

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General Information

  • CAS No. 249561-98-6
  • Cat. No. CS-W005317
  • Purity ≥97%
  • MDL No. MFCD08458255
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₄ClF₆N₂P
  • Molecular Weight 306.62
  • Synonym(s) 2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate
  • SMILES C/[N+](C)=C\C(Cl)=C\N(C)C.F[P-](F)(F)(F)(F)F

Description

N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminium hexafluorophosphate(V) features a reactive iminium center stabilized by a hexafluorophosphate counterion, enabling efficient electrophilic coupling in transition-metal-free C–C bond formation. This bench-stable reagent integrates readily into synthetic sequences requiring mild activation and high functional group tolerance.

Application

N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminium hexafluorophosphate(V) serves as a versatile electrophilic alkylating agent, enabling efficient C–H functionalization and heterocycle synthesis. Its stable iminium cation facilitates rapid reaction with nucleophiles under mild conditions, offering high chemoselectivity and compatibility with diverse functional groups. The hexafluorophosphate counterion enhances solubility and stability in polar solvents, simplifying purification and improving reproducibility in synthetic workflows.

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-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   6.25
  • LogP   4.3535
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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