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Methyl 4-fluoro-1H-indole-3-carboxylate

  • CAS No. 1220039-52-0

  • Cat. No. CS-0150762
  • Purity≥97%
  • MDL No.MFCD09841615

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

Methyl 4-fluoro-1H-indole-3-carboxylate|CS-0150762

Structure of 1220039-52-0

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General Information

  • CAS No. 1220039-52-0
  • Cat. No. CS-0150762
  • Purity ≥97%
  • MDL No. MFCD09841615
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈FNO₂
  • Molecular Weight 193.17
  • Synonym(s) Methyl 4-Fluoroindole-3-carboxylate
  • SMILES COC(=O)C1=CNC2=CC=CC(=C12)F

Description

Methyl 4-fluoro-1H-indole-3-carboxylate features a fluorinated indole core with a methyl ester at the 3-position, offering enhanced electronic modulation and metabolic stability. This bench-stable compound integrates readily into synthetic routes for bioactive molecules, particularly in medicinal chemistry and pharmaceutical development workflows.

Application

Methyl 4-fluoro-1H-indole-3-carboxylate serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. The ortho-fluorine substituent enables directed metalation and facilitates late-stage functionalization via cross-coupling reactions. Its methyl ester group offers compatibility with standard reduction, hydrolysis, and amidation protocols, while the indole core provides inherent stability and favorable reactivity in electrophilic substitution and transition-metal-catalyzed transformations.

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-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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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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