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CS-W001157 4
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Methyl 5-fluoro-1H-indole-6-carboxylate

  • CAS No. 1227268-61-2

  • Cat. No. CS-0069005
  • Purity≥98%
  • MDL No.None

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

Methyl 5-fluoro-1H-indole-6-carboxylate|CS-0069005

Structure of 1227268-61-2

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General Information

  • CAS No. 1227268-61-2
  • Cat. No. CS-0069005
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈FNO₂
  • Molecular Weight 193.17
  • Synonym(s) 5-Fluoro-indole-6-carboxylic acid Methyl ester
  • SMILES O=C(C1=CC2=C(C=C1F)C=CN2)OC

Description

Methyl 5-fluoro-1H-indole-6-carboxylate features a fluorinated indole core with a strategically positioned ester group, enabling direct functionalization in late-stage synthesis. The electron-deficient aromatic system enhances reactivity in transition-metal-catalyzed couplings, while the methyl ester offers stability and ease of manipulation under standard conditions.

Application

Methyl 5-fluoro-1H-indole-6-carboxylate serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. The fluorine substituent enhances metabolic stability and modulates electronic properties, while the ester group enables straightforward functionalization via hydrolysis, reduction, or coupling reactions. Its bench-stable nature and compatibility with standard synthetic protocols make it well-suited for medicinal chemistry campaigns and process 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-H315-H320-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   42.09
  • LogP   2.0936
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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