Cas no 1131614-46-4 (Ethyl 3-iodo-4-propoxybenzoate)

Ethyl 3-iodo-4-propoxybenzoate is a synthetic aromatic ester featuring both iodo and propoxy functional groups on a benzoate backbone. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The iodine substituent enhances its reactivity in cross-coupling reactions, such as Suzuki or Heck couplings, enabling efficient carbon-carbon bond formation. The propoxy group contributes to solubility in organic solvents, facilitating further derivatization. Its well-defined structure and high purity make it a reliable building block for researchers in medicinal chemistry and material science. Proper handling under inert conditions is recommended due to its sensitivity to light and moisture.
Ethyl 3-iodo-4-propoxybenzoate structure
1131614-46-4 structure
Product Name:Ethyl 3-iodo-4-propoxybenzoate
CAS No:1131614-46-4
MF:C12H15IO3
MW:334.150176286697
CID:1030621
PubChem ID:44829075
Update Time:2025-08-05

Ethyl 3-iodo-4-propoxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-iodo-4-propoxybenzoate
    • 1131614-46-4
    • Ethyl3-iodo-4-propoxybenzoate
    • AKOS015843183
    • DB-060416
    • DTXSID70661162
    • A802888
    • Inchi: 1S/C12H15IO3/c1-3-7-16-11-6-5-9(8-10(11)13)12(14)15-4-2/h5-6,8H,3-4,7H2,1-2H3
    • InChI Key: FNGJFOOMTFNWCB-UHFFFAOYSA-N
    • SMILES: IC1C=C(C(=O)OCC)C=CC=1OCCC

Computed Properties

  • Exact Mass: 334.00659g/mol
  • Monoisotopic Mass: 334.00659g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 220
  • 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: 3.7
  • Topological Polar Surface Area: 35.5?2

Ethyl 3-iodo-4-propoxybenzoate Pricemore >>

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Ethyl 3-iodo-4-propoxybenzoate Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:1131614-46-4)Ethyl 3-iodo-4-propoxybenzoate
Order Number:A802888
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:05
Price ($):385.0

Additional information on Ethyl 3-iodo-4-propoxybenzoate

Ethyl 3-Iodo-4-Propoxybenzoate: A Comprehensive Overview

Ethyl 3-iodo-4-propoxybenzoate, with the CAS number 1131614-46-4, is a compound of significant interest in the fields of organic chemistry and pharmaceutical research. This compound is characterized by its unique structure, which includes an ethyl ester group, an iodo substituent, and a propoxy group attached to a benzoate ring. The combination of these functional groups makes it a versatile molecule with potential applications in drug design, material science, and analytical chemistry.

The synthesis of Ethyl 3-iodo-4-propoxybenzoate typically involves multi-step organic reactions. One common approach is the iodination of a suitable aromatic compound followed by esterification and alkoxylation. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing the overall cost and environmental impact. Researchers have also explored the use of microwave-assisted synthesis to accelerate reaction times while maintaining high yields.

In terms of physical properties, Ethyl 3-iodo-4-propoxybenzoate exhibits a melting point of approximately 78°C and a boiling point around 280°C under standard conditions. Its solubility in organic solvents such as dichloromethane and ethyl acetate is relatively high, making it suitable for various extraction and purification techniques. The compound's UV-vis spectrum shows strong absorption bands in the range of 250-300 nm, which is indicative of its conjugated aromatic system.

One of the most promising applications of Ethyl 3-iodo-4-propoxybenzoate lies in its use as an intermediate in drug discovery. Its iodo group can serve as a leaving group in nucleophilic substitution reactions, facilitating the incorporation of bioactive moieties into larger molecular frameworks. Recent studies have demonstrated its utility in the synthesis of potential anticancer agents, where the propoxy group enhances solubility and bioavailability.

Moreover, Ethyl 3-iodo-4-propoxybenzoate has shown potential in materials science as a precursor for advanced polymers and coatings. Its ester functionality can be exploited for cross-linking reactions, leading to materials with improved mechanical properties. Researchers have also investigated its use in nanotechnology applications, where its unique structure can contribute to the development of novel nanocomposites.

In the realm of analytical chemistry, Ethyl 3-iodo-4-propoxybenzoate serves as a valuable standard for chromatographic separations. Its distinct retention characteristics make it an ideal reference compound for identifying similar structures in complex mixtures. Recent advancements in mass spectrometry techniques have further enhanced its utility as an analytical tool.

From an environmental standpoint, understanding the degradation pathways of Ethyl 3-iodo-4-propoxybenzoate is crucial for assessing its ecological impact. Studies have shown that under aerobic conditions, the compound undergoes microbial degradation via hydrolysis and oxidation mechanisms. Efforts are ongoing to develop bioremediation strategies that leverage these natural processes to mitigate contamination risks.

In conclusion, Ethyl 3-Iodo-4-Propoxybenzoate (CAS No: 1131614-46-4) stands out as a multifaceted compound with diverse applications across various scientific disciplines. Its unique chemical structure, coupled with recent advancements in synthetic and analytical techniques, positions it as a key player in modern chemical research. As ongoing studies continue to uncover new insights into its properties and uses, this compound is poised to make significant contributions to both academic and industrial sectors.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1131614-46-4)Ethyl 3-iodo-4-propoxybenzoate
A802888
Purity:99%
Quantity:1g
Price ($):385.0
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