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CS-W001157 4
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6-Chloroindole-2-carboxylic acid

  • CAS No. 16732-75-5

  • Cat. No. CS-0081874
  • Purity≥98%
  • MDL No.MFCD01863157

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

6-Chloroindole-2-carboxylic acid|CS-0081874

Structure of 16732-75-5

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General Information

  • CAS No. 16732-75-5
  • Cat. No. CS-0081874
  • Purity ≥98%
  • MDL No. MFCD01863157
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClNO₂
  • Molecular Weight 195.60
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=2C=CC(Cl)=CC2N1

Description

4-Chlorophenylacetylene is used as pharmaceutical intermediate.

Application

6-Chloro-1H-indole-2-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation of the indole scaffold into bioactive molecules. The carboxylic acid group facilitates amide coupling and esterification reactions under standard conditions, while the 6-chloro substituent provides a site for palladium-catalyzed cross-coupling transformations. Its bench-stable nature and compatibility with diverse functional groups make it well-suited for iterative synthesis workflows in API development.

Synthesis

  • Route1

    References

    • WO2012/24620 A2, ; Page/Page column 168 ; WO 2012/024620 A2
  • Route2
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    • ~%
    • In-stock
      6-Chloroindole-2-carboxylic acid|CS-0081874
      16732-75-5

    References

    • Journal of the American Chemical Society, , vol. 73, p. 2756,2758 Journal of the Chemical Society, , p. 3499,3502
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 34, # 4 p. 1283 - 1292

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

Quality Control

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.5195
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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