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CS-W001157 4
Total: USD 88.00

Methyl 2-(4-iodophenyl)acetate

  • CAS No. 63349-52-0

  • Cat. No. CS-0094448
  • Purity≥96%
  • MDL No.MFCD09752980
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    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

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

Methyl 2-(4-iodophenyl)acetate|CS-0094448

Structure of 63349-52-0

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Description

Methyl 2-(4-iodophenyl)acetate is a bench-stable aryl iodide derivative featuring a pendant ester group, enabling direct coupling in Pd-catalyzed cross-coupling reactions. The para-iodo substitution provides high reactivity in Suzuki, Stille, and Negishi transformations, while the methyl ester offers straightforward derivatization pathways. This compound serves as a key building block for functionalized biaryl architectures in medicinal chemistry and materials synthesis.

Application

Methyl 2-(4-iodophenyl)acetate serves as a versatile building block in cross-coupling chemistry, enabling efficient C–C bond formation via palladium-catalyzed reactions. The iodophenyl group exhibits high reactivity in Suzuki, Stille, and Negishi couplings, while the ester functionality offers compatibility with subsequent transformations. Its bench-stable nature and straightforward purification make it well-suited for iterative synthesis of complex aryl-containing scaffolds in medicinal chemistry and materials science applications.

General Information

  • CAS No. 63349-52-0
  • Cat. No. CS-0094448
  • Purity ≥96%
  • MDL No. MFCD09752980
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉IO₂
  • Molecular Weight 276.07
  • Synonym(s) Methyl 4-Iodophenylacetate
  • SMILES O=C(OC)CC1=CC=C(I)C=C1

Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.0067
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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 : P233-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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