Cas no 1131588-13-0 (Methyl 4-ethoxy-3-iodobenzoate)

Methyl 4-ethoxy-3-iodobenzoate is a halogenated aromatic ester with the molecular formula C??H??IO?. This compound is characterized by its ethoxy and iodo substituents on the benzoate ring, which enhance its reactivity in cross-coupling and substitution reactions. The methyl ester group provides stability while allowing further functionalization under mild conditions. It is commonly utilized as an intermediate in pharmaceutical and agrochemical synthesis, particularly in the preparation of bioactive molecules. Its well-defined structure and high purity make it suitable for precision applications in organic synthesis and research. The compound’s stability under standard storage conditions ensures reliable performance in laboratory settings.
Methyl 4-ethoxy-3-iodobenzoate structure
1131588-13-0 structure
Product Name:Methyl 4-ethoxy-3-iodobenzoate
CAS No:1131588-13-0
MF:C10H11IO3
MW:306.097015619278
CID:1030659
PubChem ID:44828998
Update Time:2025-05-27

Methyl 4-ethoxy-3-iodobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-ethoxy-3-iodobenzoate
    • 4-ethoxy-3-iodoBenzoic acid methyl ester
    • CTK8E2080
    • METHYL 3-IODO-4-ETHOXYBENZOATE
    • methyl 4-ethoxy-3-iodanyl-benzoate
    • SBB068115
    • SureCN3410155
    • WOQIEYLCMSOXPO-UHFFFAOYSA-N
    • DB-060341
    • DTXSID10661085
    • A802824
    • A1-06231
    • AKOS015843670
    • 1131588-13-0
    • SCHEMBL3410155
    • Methyl4-ethoxy-3-iodobenzoate
    • Inchi: 1S/C10H11IO3/c1-3-14-9-5-4-7(6-8(9)11)10(12)13-2/h4-6H,3H2,1-2H3
    • InChI Key: WOQIEYLCMSOXPO-UHFFFAOYSA-N
    • SMILES: IC1C=C(C(=O)OC)C=CC=1OCC

Computed Properties

  • Exact Mass: 305.97529g/mol
  • Monoisotopic Mass: 305.97529g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 196
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 35.5?2

Methyl 4-ethoxy-3-iodobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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Methyl 4-ethoxy-3-iodobenzoate
1131588-13-0 95%
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$400.00 2023-09-04
A2B Chem LLC
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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Crysdot LLC
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Additional information on Methyl 4-ethoxy-3-iodobenzoate

Comprehensive Analysis of Methyl 4-ethoxy-3-iodobenzoate (CAS No. 1131588-13-0): Properties, Applications, and Industry Trends

Methyl 4-ethoxy-3-iodobenzoate (CAS No. 1131588-13-0) is a specialized organic compound widely recognized in pharmaceutical and agrochemical research. Its molecular structure, featuring an ethoxy group and an iodo substituent on a benzoate backbone, makes it a versatile intermediate for synthesizing complex molecules. This compound’s unique properties, such as its stability under mild conditions and reactivity in cross-coupling reactions, have garnered significant attention from researchers exploring drug discovery and material science applications.

In recent years, the demand for iodinated aromatic compounds like Methyl 4-ethoxy-3-iodobenzoate has surged due to their role in palladium-catalyzed reactions, a hotspot in modern organic chemistry. Searches for "Suzuki-Miyaura coupling" and "iodoarene derivatives" have spiked, reflecting industry interest in efficient synthetic pathways. This compound’s compatibility with green chemistry principles—such as reduced waste and energy-efficient protocols—aligns with global sustainability trends, further driving its adoption.

The pharmaceutical industry leverages Methyl 4-ethoxy-3-iodobenzoate as a building block for active pharmaceutical ingredients (APIs). Its electron-withdrawing and steric effects enhance molecular diversity in drug design, addressing challenges like bioavailability and target selectivity. Researchers frequently inquire about "high-yield synthesis of iodobenzoates" or "applications in medicinal chemistry," underscoring its relevance in cutting-edge studies.

From a commercial perspective, CAS No. 1131588-13-0 is supplied by leading fine chemical manufacturers with stringent purity standards (>98%). Analytical techniques like HPLC and NMR spectroscopy ensure quality control, meeting the needs of contract research organizations (CROs) and academic labs. Discussions on "scalable synthesis routes" and "cost-effective iodination methods" dominate forums, highlighting practical considerations for industrial use.

Looking ahead, innovations in catalytic processes and heterocyclic chemistry are expected to expand the utility of Methyl 4-ethoxy-3-iodobenzoate. Its integration into high-throughput screening platforms and combinatorial libraries positions it as a key player in next-generation therapeutic development. As regulatory frameworks evolve, compliance with REACH and GMP guidelines remains critical for suppliers and end-users alike.

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