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CS-W001157 4
Total: USD 88.00

Indoline-5-carboxylic acid

  • CAS No. 15861-30-0

  • Cat. No. CS-W019001
  • Purity≥97%
  • MDL No.MFCD07371642

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

Indoline-5-carboxylic acid|CS-W019001

Structure of 15861-30-0

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General Information

  • CAS No. 15861-30-0
  • Cat. No. CS-W019001
  • Purity ≥97%
  • MDL No. MFCD07371642
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) 2,3-DIHYDRO-1H-INDOLE-5-CARBOXYLIC ACID
  • SMILES O=C(C1=CC2=C(NCC2)C=C1)O

Description

Indoline-5-carboxylic acid features a rigid, electron-rich indoline scaffold with a carboxylic acid group at the 5-position, enabling direct conjugation in peptide and heterocyclic syntheses. This bench-stable derivative integrates readily into bioactive molecule frameworks, offering enhanced solubility and metabolic stability in medicinal chemistry applications.

Application

Indoline-5-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of biologically relevant heterocyclic scaffolds. Its functionality arises from the orthogonal reactivity of the indoline nitrogen and carboxylic acid group, facilitating amide coupling, derivatization, and cyclization reactions. The molecule exhibits good bench stability and is readily purified by standard techniques, making it well-suited for iterative synthesis and library generation in drug discovery workflows.

Synthesis

  • Route1

    References

    • Journal of Medicinal Chemistry, , vol. 49, # 14 p. 4425 - 4436
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 49, # 14 p. 4425 - 4436
  • Route3

    References

    • Synlett, , # SPEC. ISS p. 900 - 903

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

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Computational Chemistry Data

  • TPSA   49.33
  • LogP   1.3528
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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