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CS-W001157 4
Total: USD 88.00

5-Fluoro-3-methyl-1H-indole

  • CAS No. 392-13-2

  • Cat. No. CS-0063939
  • Molecule weight149.16
  • Purity≥97%
  • MDL No.None

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

5-Fluoro-3-methyl-1H-indole|CS-0063939

Structure of 392-13-2

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General Information

  • CAS No. 392-13-2
  • Cat. No. CS-0063939
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈FN
  • Molecular Weight 149.16
  • Synonym(s) 5-Fluoro-3-methylindole
  • SMILES CC1=CNC2=C1C=C(F)C=C2

Description

5-Fluoro-3-methyl-1H-indole is a fluorinated indole scaffold featuring a methyl group at the 3-position and a fluoro substituent at the 5-position. This electron-deficient heterocycle integrates readily into bioactive molecule design, offering enhanced metabolic stability and modulated electronic properties for medicinal chemistry applications.

Application

5-Fluoro-3-methyl-1H-indole serves as a valuable building block in medicinal chemistry, enabling the synthesis of diverse heterocyclic scaffolds through standard electrophilic substitution and transition-metal-catalyzed coupling reactions. Its fluorinated indole core offers enhanced metabolic stability and modulated electronic properties, while the methyl group provides a site for further functionalization. The compound exhibits good bench stability and facilitates efficient purification, making it well-suited for iterative synthesis in API development and process chemistry workflows.

Synthesis

  • Route1

    References

    • Cheng, Hong-Gang; Lu, Liang-Qiu; Wang, Tao; Yang, Qing-Qing; Liu, Xiao-Peng; Li, Yang; Deng, Qiao-Hui; Chen, Jia-Rong; Xiao, Wen-Jing Angewandte Chemie - International Edition, 2013 , vol. 52, # 11 p. 3250 - 3254 Angew. Chem., 2013 , vol. 125, # 11 p. 3332 - 3336,5
  • Route2

    References

    • Cheng, Hong-Gang; Lu, Liang-Qiu; Wang, Tao; Yang, Qing-Qing; Liu, Xiao-Peng; Li, Yang; Deng, Qiao-Hui; Chen, Jia-Rong; Xiao, Wen-Jing Angewandte Chemie - International Edition, 2013 , vol. 52, # 11 p. 3250 - 3254 Angew. Chem., 2013 , vol. 125, # 11 p. 3332 - 3336,5

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

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Computational Chemistry Data

  • TPSA   15.79
  • LogP   2.61542
  • H_Acceptors   0
  • H_Donors   1
  • Rotatable_Bonds   0

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