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Ethyl 7-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

  • CAS No. 119647-73-3

  • Cat. No. CS-W020461
  • Molecule weight207.23
  • Purity≥97%
  • MDL No.MFCD03865893

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

Ethyl 7-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate|CS-W020461

Structure of 119647-73-3

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General Information

  • CAS No. 119647-73-3
  • Cat. No. CS-W020461
  • Purity ≥97%
  • MDL No. MFCD03865893
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₃
  • Molecular Weight 207.23
  • Synonym(s) ethyl 1,4,5,6,-tetrahydro-7H-indole-7-one-2-carboxylate
  • SMILES CCOC(=O)c1cc2CCCC(=O)c2[nH]1

Description

Ethyl 7-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate is a bench-stable heterocyclic intermediate featuring a fused indoline core with a ketone at C7 and an ester functionality at C2. This scaffold integrates readily into medicinal chemistry campaigns targeting CNS-active compounds and kinase inhibitors, offering high compatibility in Pd-catalyzed cross-coupling reactions due to its electron-deficient aromatic system and stable functional group tolerance.

Application

Ethyl 7-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling access to indole-based scaffolds through standard functional group manipulations. The ketone and ester functionalities offer orthogonal reactivity for selective transformations, including nucleophilic additions and coupling reactions. Its bench-stable nature and compatibility with common reaction conditions facilitate efficient synthesis of heterocyclic intermediates and API precursors in medicinal chemistry workflows.

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   59.16
  • LogP   1.7104
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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