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CS-W001157 4
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5-(tert-Butyl)-1H-indole

  • CAS No. 92462-70-9

  • Cat. No. CS-0147121
  • Purity≥98%
  • MDL No.None

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

5-(tert-Butyl)-1H-indole|CS-0147121

Structure of 92462-70-9

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General Information

  • CAS No. 92462-70-9
  • Cat. No. CS-0147121
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅N
  • Molecular Weight 173.25
  • Synonym(s) None
  • SMILES CC(C1=CC2=C(NC=C2)C=C1)(C)C

Description

5-(tert-Butyl)-1H-indole features a sterically hindered tert-butyl group at the 5-position of the indole core, enhancing stability and solubility in organic media. This substitution pattern imparts favorable electronic properties for use in pharmaceutical intermediates and functional materials synthesis under standard conditions.

Application

5-(tert-Butyl)-1H-indole serves as a versatile building block in medicinal chemistry and materials science, offering enhanced solubility and steric bulk at the indole C5 position. Its stability under standard reaction conditions facilitates direct functionalization via electrophilic substitution or transition-metal-catalyzed coupling. The tert-butyl group provides excellent protection and orthogonality in multi-step syntheses, enabling efficient access to complex heterocyclic scaffolds and drug candidates.

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   15.79
  • LogP   3.4654
  • H_Acceptors   0
  • H_Donors   1
  • Rotatable_Bonds   0

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