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1-Ethyl-2,3,3-trimethyl-3H-indol-1-ium-5-sulfonate

  • CAS No. 146368-07-2

  • Cat. No. CS-0188147
  • Molecule weight267.34
  • Purity≥95%
  • MDL No.None

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

1-Ethyl-2,3,3-trimethyl-3H-indol-1-ium-5-sulfonate|CS-0188147

Structure of 146368-07-2

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General Information

  • CAS No. 146368-07-2
  • Cat. No. CS-0188147
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇NO₃S
  • Molecular Weight 267.34
  • Synonym(s) 3H-Indolium,1-ethyl-2,3,3-trimethyl-5-sulfo-,inner salt
  • SMILES CC[N+]1=C(C)C(C)(C)C2=C1C=CC(=C2)S(=O)(=O)[O-]

Description

This bench-stable indolium salt features a sulfonate counterion that enhances solubility in polar media. The electron-deficient core facilitates electrophilic reactivity, while the trimethyl substitution pattern provides steric shielding. Ideal for use in catalytic transformations and as a building block in organic synthesis under standard conditions.

Synthesis

  • Route1
    • null|null
      103905-55-1
    • ~65%
    • In-stock
      1-Ethyl-2,3,3-trimethyl-3H-indol-1-ium-5-sulfonate|CS-0188147
      146368-07-2

    References

    • ILLUMINA CAMBRIGDE LTD.; ROMANOV, Nikolai; ANASTASI, Carole; LIU, Xiaohai Patent: WO2013/41117 A1, 2013 ; Location in patent: Paragraph 00139; 00140 ;
  • Route2
    • null|null
      75-03-6
    • 2,3,3-Trimethyl-3H-indole-5-sulfonic acid|CS-0379016
      132557-72-3
    • ~%
    • In-stock
      1-Ethyl-2,3,3-trimethyl-3H-indol-1-ium-5-sulfonate|CS-0188147
      146368-07-2

    References

    • Tetrahedron, , vol. 65, # 27 p. 5257 - 5264

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   2.0067
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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