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Ethyl 4,7-difluoro-1H-indole-2-carboxylate

  • CAS No. 394223-44-0

  • Cat. No. CS-0369693
  • Purity≥98%
  • MDL No.None

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

Ethyl 4,7-difluoro-1H-indole-2-carboxylate|CS-0369693

Structure of 394223-44-0

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General Information

  • CAS No. 394223-44-0
  • Cat. No. CS-0369693
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉F₂NO₂
  • Molecular Weight 225.19
  • Synonym(s) 1H-Indole-2-carboxylic acid, 4,7-difluoro-, ethyl ester
  • SMILES O=C(C1=CC2=C(N1)C(F)=CC=C2F)OCC

Description

Ethyl 4,7-difluoro-1H-indole-2-carboxylate is a fluorinated indole derivative featuring two strategically positioned fluorine atoms that enhance electronic modulation and metabolic stability. This bench-stable compound integrates readily into synthetic routes targeting bioactive molecules, particularly in medicinal chemistry applications requiring electron-deficient heterocyclic scaffolds.

Application

Ethyl 4,7-difluoro-1H-indole-2-carboxylate serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated indole scaffolds prevalent in bioactive molecules. The difluoro substitution enhances metabolic stability and modulates electronic properties, while the ester functionality facilitates further derivatization via hydrolysis or coupling reactions. Its bench-stable nature and compatibility with standard synthetic protocols make it ideal for iterative synthesis campaigns targeting heterocyclic APIs.

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-H312-H315-H319-H332-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   2.6228
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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