Cas no 1131622-44-0 (Ethyl 5-iodo-2-(piperidin-1-yl)benzoate)

Ethyl 5-iodo-2-(piperidin-1-yl)benzoate is a benzoate ester derivative featuring a piperidine substituent and an iodine moiety at the 5-position of the aromatic ring. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of the iodine atom offers opportunities for further functionalization via cross-coupling reactions, such as Suzuki or Sonogashira couplings. The piperidine group enhances solubility and may contribute to biological activity. Its stable ester linkage ensures compatibility with a range of reaction conditions. This compound is valued for its structural flexibility and potential applications in medicinal chemistry research.
Ethyl 5-iodo-2-(piperidin-1-yl)benzoate structure
1131622-44-0 structure
Product Name:Ethyl 5-iodo-2-(piperidin-1-yl)benzoate
CAS No:1131622-44-0
MF:C14H18INO2
MW:359.202696323395
CID:1030689
PubChem ID:44829050
Update Time:2025-06-13

Ethyl 5-iodo-2-(piperidin-1-yl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-iodo-2-(piperidin-1-yl)benzoate
    • ethyl 5-iodo-2-piperidin-1-ylbenzoate
    • AK133664
    • CTK8E2217
    • ethyl 5-iodanyl-2-piperidin-1-yl-benzoate
    • FT-0652227
    • KB-145530
    • AKOS015843424
    • DTXSID20661137
    • 1131622-44-0
    • Ethyl5-iodo-2-(piperidin-1-yl)benzoate
    • DB-060474
    • A802970
    • 5-iodo-2-(1-piperidinyl)benzoic acid ethyl ester
    • MDL: MFCD11110751
    • Inchi: 1S/C14H18INO2/c1-2-18-14(17)12-10-11(15)6-7-13(12)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3
    • InChI Key: FKUPFOLQTKJCGA-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=C(C(=O)OCC)C=1)N1CCCCC1

Computed Properties

  • Exact Mass: 359.038
  • Monoisotopic Mass: 359.038
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 279
  • 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
  • Topological Polar Surface Area: 29.5A^2
  • XLogP3: 3.8

Ethyl 5-iodo-2-(piperidin-1-yl)benzoate Pricemore >>

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Additional information on Ethyl 5-iodo-2-(piperidin-1-yl)benzoate

Comprehensive Overview of Ethyl 5-iodo-2-(piperidin-1-yl)benzoate (CAS No. 1131622-44-0)

Ethyl 5-iodo-2-(piperidin-1-yl)benzoate (CAS No. 1131622-44-0) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This compound belongs to the class of iodinated benzoate derivatives, which are widely studied for their potential applications in drug discovery and material science. The presence of both piperidine and iodo functional groups in its structure makes it a versatile intermediate for synthesizing more complex molecules.

In recent years, the demand for highly functionalized benzoate esters like Ethyl 5-iodo-2-(piperidin-1-yl)benzoate has increased due to their role in developing novel therapeutic agents. Researchers are particularly interested in its potential as a building block for kinase inhibitors and GPCR-targeted drugs, which are hot topics in modern medicinal chemistry. The compound's unique structure allows for further modifications, enabling the creation of libraries of derivatives for high-throughput screening.

The synthesis of Ethyl 5-iodo-2-(piperidin-1-yl)benzoate typically involves multi-step organic reactions, including iodination and esterification processes. Its CAS No. 1131622-44-0 serves as a unique identifier in chemical databases, making it easier for researchers to track its properties and applications. The compound's molecular weight, solubility, and stability data are crucial for those working in pharmaceutical formulation and process chemistry.

From an industrial perspective, Ethyl 5-iodo-2-(piperidin-1-yl)benzoate is often discussed in the context of green chemistry and sustainable synthesis. Many users search for information about eco-friendly production methods for such compounds, reflecting the growing emphasis on environmental responsibility in chemical manufacturing. The compound's potential applications in bioconjugation and proteomics research also make it relevant to current trends in precision medicine and diagnostic development.

Quality control is another critical aspect when working with Ethyl 5-iodo-2-(piperidin-1-yl)benzoate. Analytical techniques such as HPLC, NMR, and mass spectrometry are essential for verifying its purity and structure. These methods are frequently searched by quality assurance professionals and researchers who need to characterize the compound accurately. The availability of high-purity grades and custom synthesis options for this material is often a point of interest for procurement specialists.

In the context of intellectual property, CAS No. 1131622-44-0 appears in numerous patent applications related to heterocyclic chemistry and medicinal compounds. This highlights its importance in proprietary research and development efforts. The compound's structural features make it valuable for creating patentable novel chemical entities, which is a key consideration for pharmaceutical companies investing in new drug pipelines.

Looking ahead, the scientific community continues to explore new applications for Ethyl 5-iodo-2-(piperidin-1-yl)benzoate in emerging fields such as chemical biology and materials science. Its potential use in developing fluorescent probes and molecular sensors represents an exciting frontier for research. As synthetic methodologies advance, we can expect to see more efficient routes to this compound and its derivatives, addressing the needs of both academic and industrial researchers.

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