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CS-W001157 4
Total: USD 88.00

3-Iodo-4-methoxy-benzoic acid methyl ester

  • CAS No. 35387-93-0

  • Cat. No. CS-0045005
  • Purity≥96%
  • MDL No.MFCD00052925

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

3-Iodo-4-methoxy-benzoic acid methyl ester|CS-0045005

Structure of 35387-93-0

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General Information

  • CAS No. 35387-93-0
  • Cat. No. CS-0045005
  • Purity ≥96%
  • MDL No. MFCD00052925
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉IO₃
  • Molecular Weight 292.07
  • Synonym(s) Methyl 3-Iodo-p-anisate
  • SMILES O=C(OC)C1=CC=C(OC)C(I)=C1

Description

A histochemical substrate for alkaline phosphatase

Application

3-Iodo-4-methoxy-benzoic acid methyl ester serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient C–C bond formation in medicinal chemistry and materials science. Its iodide functionality exhibits high reactivity in Suzuki, Stille, and Negishi couplings, while the methyl ester and methoxy groups provide orthogonal handle options. The compound demonstrates excellent bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis of functionalized aromatic scaffolds.

Synthesis

  • Route1
    • Methyl anisate, ≥99%|CS-1268957
      121-98-2
    • ~91%
    • In-stock
      3-Iodo-4-methoxy-benzoic acid methyl ester|CS-0045005
      35387-93-0

    References

    • Organic Letters, , vol. 12, # 9 p. 2104 - 2107
  • Route2
    • null|null
      4253-10-5
    • ~74%
    • In-stock
      3-Iodo-4-methoxy-benzoic acid methyl ester|CS-0045005
      35387-93-0
    • In-stock
      Methyl 4-hydroxy-3-iodobenzoate|CS-W019910
      15126-06-4

    References

    • Journal of Organic Chemistry, , vol. 63, # 12 p. 3911 - 3917
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 63, # 12 p. 3911 - 3917

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   35.53
  • LogP   2.0864
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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