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CS-W001157 4
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Ethyl 4-fluoro-7-nitro-1H-indole-2-carboxylate

  • CAS No. 913287-14-6

  • Cat. No. CS-0096461
  • Molecule weight252.20
  • Purity≥98%
  • MDL No.MFCD12405181

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

Ethyl 4-fluoro-7-nitro-1H-indole-2-carboxylate|CS-0096461

Structure of 913287-14-6

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General Information

  • CAS No. 913287-14-6
  • Cat. No. CS-0096461
  • Purity ≥98%
  • MDL No. MFCD12405181
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉FN₂O₄
  • Molecular Weight 252.20
  • Synonym(s) 4-Fluoro-7-nitro 1H-indole-2-ethyl carboxylate
  • SMILES O=C(C(N1)=CC2=C1C([N+]([O-])=O)=CC=C2F)OCC

Description

Ethyl 4-fluoro-7-nitro-1H-indole-2-carboxylate features a fluorinated indole core with electron-withdrawing nitro and ester functionalities, enabling direct incorporation into complex heterocyclic architectures. This bench-stable reagent streamlines access to bioactive indole derivatives in medicinal chemistry workflows.

Application

Ethyl 4-fluoro-7-nitro-1H-indole-2-carboxylate serves as a versatile building block for the synthesis of substituted indole scaffolds, enabling late-stage functionalization via palladium-catalyzed cross-coupling. The electron-deficient indole core facilitates nucleophilic substitution at C4, while the nitro group supports sequential transformations in medicinal chemistry campaigns. Bench-stable and amenable to purification by flash chromatography, it functions effectively in standard synthetic workflows requiring orthogonality between nitro, fluoro, and ester functionalities.

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-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   85.23
  • LogP   2.3919
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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