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CS-W001157 4
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Methyl 7-bromobenzo[b]thiophene-2-carboxylate

  • CAS No. 550998-53-3

  • Cat. No. CS-0005786
  • Purity≥98%
  • MDL No.MFCD09027095

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

Methyl 7-bromobenzo[b]thiophene-2-carboxylate|CS-0005786

Structure of 550998-53-3

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General Information

  • CAS No. 550998-53-3
  • Cat. No. CS-0005786
  • Purity ≥98%
  • MDL No. MFCD09027095
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇BrO₂S
  • Molecular Weight 271.13
  • Synonym(s) METHYL 7-BROMO-1-BENZOTHIOPHENE-2-CARBOXYLATE
  • SMILES O=C(OC)C1=CC2=CC=CC(Br)=C2S1

Description

Methyl 7-bromobenzo[b]thiophene-2-carboxylate features a brominated benzo[b]thiophene core with a methyl ester at the 2-position, enabling direct functionalization in cross-coupling reactions. The electron-deficient thiophene ring enhances reactivity in palladium-catalyzed transformations, while the ester group provides a handle for downstream derivatization. This compound serves as a key intermediate in the synthesis of bioactive heterocycles and advanced materials.

Application

Methyl 7-bromobenzo[b]thiophene-2-carboxylate serves as a versatile building block for the synthesis of biologically relevant heterocycles and functionalized pharmaceutical intermediates. The bromo group enables palladium-catalyzed cross-coupling reactions, while the ester functionality supports selective transformations. Its bench-stable nature and compatibility with diverse reaction conditions facilitate efficient access to complex scaffolds in medicinal chemistry and materials science 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   26.3
  • LogP   3.4504
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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