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CS-W001157 4
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Methyl 3-aminobenzofuran-2-carboxylate

  • CAS No. 57805-85-3

  • Cat. No. CS-0062552
  • Purity≥98%
  • MDL No.None

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

Methyl 3-aminobenzofuran-2-carboxylate|CS-0062552

Structure of 57805-85-3

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General Information

  • CAS No. 57805-85-3
  • Cat. No. CS-0062552
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₃
  • Molecular Weight 191.18
  • Synonym(s) Methyl 3-amino-2-benzo[b]furancarboxylate
  • SMILES O=C(C1=C(N)C2=CC=CC=C2O1)OC

Description

Methyl 3-aminobenzofuran-2-carboxylate integrates a benzofuran core with an electron-rich amine and ester functionality, enabling direct incorporation into diverse synthetic scaffolds. This bench-stable derivative facilitates efficient access to functionalized heterocycles in medicinal chemistry and materials development.

Application

Methyl 3-aminobenzofuran-2-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to benzofuran-based scaffolds. The amino group facilitates downstream functionalization via coupling reactions, while the ester moiety supports selective transformations. Its stability under standard synthetic conditions and compatibility with diverse reaction systems make it well-suited for constructing bioactive heterocycles and API intermediates.

Synthesis

  • Route1
    • In-stock
      Methyl 2-hydroxyacetate|CS-W004068
      96-35-5
    • null|null
      394-47-8
    • ~48%
    • In-stock
      Methyl 3-aminobenzofuran-2-carboxylate|CS-0062552
      57805-85-3

    References

    • Suh, Jeehee; Yi, Kyu Yang; Lee, Yun-Suk; Kim, Eunhee; Yum, Eul Kgun; Yoo, Sung-Eun Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 22 p. 6362 - 6365
  • Route2
    • Methyl 2-(2-cyanophenoxy)acetate|CS-0316134
      34844-79-6
    • ~56%
    • In-stock
      Methyl 3-aminobenzofuran-2-carboxylate|CS-0062552
      57805-85-3

    References

    • Warner-Lambert Company Patent: US5679683 A1, 1997 ;
  • Route3
    • In-stock
      2-Hydroxybenzonitrile|CS-W013585
      611-20-1
    • null|null
      96-32-2
    • ~91%
    • In-stock
      Methyl 3-aminobenzofuran-2-carboxylate|CS-0062552
      57805-85-3

    References

    • ATHERSYS, INC. Patent: WO2006/14647 A2, 2006 ; Location in patent: Page/Page column 51 ; WO 2006/014647 A2

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   65.46
  • LogP   1.8016
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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