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CS-W001157 4
Total: USD 88.00

2,3,3-Trimethyl-3H-indol-5-ol

  • CAS No. 41797-88-0

  • Cat. No. CS-0617004
  • Molecule weight175.23
  • Purity≥97%
  • MDL No.None

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

2,3,3-Trimethyl-3H-indol-5-ol|CS-0617004

Structure of 41797-88-0

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General Information

  • CAS No. 41797-88-0
  • Cat. No. CS-0617004
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO
  • Molecular Weight 175.23
  • Synonym(s) None
  • SMILES OC1=CC2=C(N=C(C)C2(C)C)C=C1

Description

2,3,3-Trimethyl-3H-indol-5-ol features a sterically hindered indole core with a phenolic hydroxyl group at C5, enabling direct functionalization in synthetic routes. The methyl substituents enhance stability and solubility in organic media, while the electron-rich system supports efficient coupling reactions under mild conditions. This scaffold serves as a key building block for bioactive heterocycles.

Application

2,3,3-Trimethyl-3H-indol-5-ol serves as a versatile building block for indole-based scaffolds, offering enhanced stability and solubility compared to unsubstituted analogs. Its phenolic hydroxyl group enables direct derivatization via etherification or esterification, while the C3-trimethyl substitution prevents unwanted side reactions at the pyrrole nitrogen. The molecule functions effectively in coupling reactions and facilitates access to biologically relevant heterocycles under standard synthetic conditions.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   32.59
  • LogP   2.7758
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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