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Methyl 7-methyl-1H-indole-3-carboxylate

  • CAS No. 773134-49-9

  • Cat. No. CS-0142075
  • Purity≥98%
  • MDL No.MFCD06204262

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

Methyl 7-methyl-1H-indole-3-carboxylate|CS-0142075

Structure of 773134-49-9

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General Information

  • CAS No. 773134-49-9
  • Cat. No. CS-0142075
  • Purity ≥98%
  • MDL No. MFCD06204262
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) 7-methyl-1h-indole-3-carbpxylic acid methyl ester
  • SMILES O=C(C1=CNC2=C1C=CC=C2C)OC

Description

Methyl 7-methyl-1H-indole-3-carboxylate features a sterically hindered indole core with a methyl group at the 7-position, enhancing metabolic stability. The ester functionality enables direct use in cross-coupling reactions and facilitates downstream derivatization. This bench-stable compound serves as a key building block for bioactive heterocycles in medicinal chemistry and materials science.

Application

Methyl 7-methyl-1H-indole-3-carboxylate serves as a versatile building block in heterocyclic synthesis, offering a readily accessible indole scaffold with orthogonal functional handles. The methyl ester group enables straightforward derivatization via hydrolysis or reduction, while the 7-methyl substituent enhances electronic stability and facilitates electrophilic substitution at C-6. Its bench-stable nature and compatibility with palladium-catalyzed cross-coupling reactions make it a practical choice for constructing complex indole-based architectures in medicinal chemistry and materials science applications.

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   42.09
  • LogP   2.26292
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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