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CS-W001157 4
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Methyl indoline-3-carboxylate

  • CAS No. 39891-71-9

  • Cat. No. CS-0139705
  • Purity≥95%
  • MDL No.None

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

Methyl indoline-3-carboxylate|CS-0139705

Structure of 39891-71-9

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General Information

  • CAS No. 39891-71-9
  • Cat. No. CS-0139705
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₂
  • Molecular Weight 177.20
  • Synonym(s) 1H-Indole-3-carboxylic acid, 2,3-dihydro-, methyl ester
  • SMILES O=C(C1CNC2=C1C=CC=C2)OC

Description

Methyl indoline-3-carboxylate serves as a key heterocyclic scaffold in medicinal chemistry, offering a stable, electron-rich core for the synthesis of bioactive compounds. This bench-stable derivative integrates readily into diverse transformation sequences, enabling efficient access to functionalized indolines and related frameworks under standard conditions.

Application

Methyl indoline-3-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to indoline-based scaffolds prevalent in medicinal chemistry. Its carboxylate functionality facilitates direct derivatization via ester hydrolysis or cross-coupling reactions, while the electron-rich indoline core supports electrophilic substitution and transition-metal-catalyzed transformations. Bench-stable and readily purified by column chromatography, it functions reliably in multi-step syntheses of bioactive heterocycles and API intermediates.

Synthesis

  • Route1

    References

    • Pietruszka, Joerg; Simon, Robert Christian Chemistry - A European Journal, 2010 , vol. 16, # 48 p. 14534 - 14544
  • Route2

    References

    • Pietruszka, Joerg; Simon, Robert Christian Chemistry - A European Journal, 2010 , vol. 16, # 48 p. 14534 - 14544
  • Route3

    References

    • Pietruszka, Joerg; Simon, Robert Christian Chemistry - A European Journal, 2010 , vol. 16, # 48 p. 14534 - 14544

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   38.33
  • LogP   1.3687
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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