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CS-W001157 4
Total: USD 88.00

6-(tert-Butyl)-1H-indole

  • CAS No. 887581-54-6

  • Cat. No. CS-0187177
  • Molecule weightNone
  • Purity≥95%
  • MDL No.MFCD07367958

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

6-(tert-Butyl)-1H-indole|CS-0187177

Structure of 887581-54-6

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General Information

  • CAS No. 887581-54-6
  • Cat. No. CS-0187177
  • Purity ≥95%
  • MDL No. MFCD07367958
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅N
  • Molecular Weight None
  • Synonym(s) 6-tert-butyl-1H-indole
  • SMILES CC(C)(C)C1=CC2=C(C=C1)C=CN2

Description

6-(tert-Butyl)-1H-indole features a sterically hindered tert-butyl group at the 6-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

6-(tert-Butyl)-1H-indole serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C6 position due to the steric protection afforded by the tert-butyl group. Its stability under standard reaction conditions and compatibility with palladium-catalyzed cross-couplings facilitate efficient access to substituted indole scaffolds relevant to pharmaceutical development.

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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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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