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Methyl 7-bromo-2,3-dihydrobenzofuran-5-carboxylate

  • CAS No. 2092670-06-7

  • Cat. No. CS-0204038
  • Purity≥98%
  • MDL No.None

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

Methyl 7-bromo-2,3-dihydrobenzofuran-5-carboxylate|CS-0204038

Structure of 2092670-06-7

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General Information

  • CAS No. 2092670-06-7
  • Cat. No. CS-0204038
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉BrO₃
  • Molecular Weight 257.08
  • Synonym(s) methyl7-bromo-2,3-dihydro-1-benzofuran-5-carboxylate
  • SMILES O=C(C1=CC(Br)=C(OCC2)C2=C1)OC

Description

Methyl 7-bromo-2,3-dihydrobenzofuran-5-carboxylate features a brominated dihydrobenzofuran core with a methyl ester at the 5-position, enabling direct incorporation into Suzuki-Miyaura cross-coupling reactions. The electron-deficient aryl bromide facilitates rapid palladium-catalyzed transformations, while the saturated furan ring enhances solubility and stability under standard reaction conditions. This compound serves as a key building block for bioactive heterocycles in medicinal chemistry.

Application

Methyl 7-bromo-2,3-dihydrobenzofuran-5-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzofuran scaffolds. The bromo group facilitates palladium-catalyzed cross-coupling reactions, while the ester functionality supports selective transformations. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for modular synthesis of bioactive molecules.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   2.1706
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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