Cas no 58530-47-5 (2-(Pyridin-4-yloxy)acetic acid)

2-(Pyridin-4-yloxy)acetic acid is a versatile pyridine derivative characterized by its carboxylic acid functional group and ether linkage to the pyridine ring. This compound is particularly valuable in organic synthesis and pharmaceutical research, serving as a key intermediate for the preparation of more complex molecules. Its pyridine moiety offers potential coordination sites for metal complexes, while the acetic acid group enables further derivatization through esterification, amidation, or other coupling reactions. The compound's balanced polarity and reactivity make it suitable for applications in medicinal chemistry, agrochemical development, and material science. It is typically handled under standard laboratory conditions, with stability under inert atmospheres recommended for long-term storage.
2-(Pyridin-4-yloxy)acetic acid structure
58530-47-5 structure
Product Name:2-(Pyridin-4-yloxy)acetic acid
CAS No:58530-47-5
MF:C7H7NO3
MW:153.135381937027
MDL:MFCD17170979
CID:1114470
PubChem ID:12254003
Update Time:2025-06-26

2-(Pyridin-4-yloxy)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-pyridinyloxy)-Acetic acid
    • 2-(Pyridin-4-yloxy)acetic acid
    • 2-pyridin-4-yloxyacetic acid
    • 2-(4-Pyridyloxy)acetic acid
    • Acetic acid, 2-(4-pyridinyloxy)-
    • AK312175
    • C75738
    • 58530-47-5
    • MFCD17170979
    • DS-11829
    • SCHEMBL7425169
    • AM20210041
    • 2-(pyridin-4-yloxy)aceticacid
    • ALBB-037066
    • DB-133934
    • AKOS022634955
    • A917719
    • CS-0161602
    • Acetic acid,2-(4-pyridinyloxy)-
    • EN300-1174998
    • pyridin-4-yloxy-acetic acid
    • MDL: MFCD17170979
    • Inchi: 1S/C7H7NO3/c9-7(10)5-11-6-1-3-8-4-2-6/h1-4H,5H2,(H,9,10)
    • InChI Key: CXSWUHSEGMQERG-UHFFFAOYSA-N
    • SMILES: O(CC(=O)O)C1C=CN=CC=1

Computed Properties

  • Exact Mass: 153.042593085g/mol
  • Monoisotopic Mass: 153.042593085g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 132
  • 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: 59.4
  • XLogP3: 0.4

Experimental Properties

  • Boiling Point: 312.9°C at 760 mmHg

2-(Pyridin-4-yloxy)acetic acid Security Information

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2-(Pyridin-4-yloxy)acetic acid Suppliers

Amadis Chemical Company Limited
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(CAS:58530-47-5)2-(Pyridin-4-yloxy)acetic acid
Order Number:A917719
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 13:03
Price ($):266.0/769.0

Additional information on 2-(Pyridin-4-yloxy)acetic acid

Comprehensive Guide to 2-(Pyridin-4-yloxy)acetic acid (CAS No. 58530-47-5): Properties, Applications, and Industry Insights

2-(Pyridin-4-yloxy)acetic acid (CAS No. 58530-47-5) is a specialized organic compound gaining attention in pharmaceutical and agrochemical research due to its unique molecular structure. This pyridine derivative features a carboxylic acid functional group linked via an ether bond to the 4-position of the pyridine ring, making it a versatile building block in synthetic chemistry. Recent studies highlight its potential as a key intermediate in developing biologically active molecules, particularly in the design of enzyme inhibitors and crop protection agents.

The compound's physicochemical properties contribute to its growing popularity. With a molecular formula of C7H7NO3 and molecular weight of 153.14 g/mol, 2-(Pyridin-4-yloxy)acetic acid typically appears as a white to off-white crystalline powder. Its solubility profile—soluble in polar organic solvents like methanol and DMSO but limited in water—makes it particularly useful in organic synthesis. Researchers frequently inquire about its pKa value (approximately 3.5 for the carboxylic acid group) and thermal stability (decomposition above 200°C), which are critical parameters for reaction optimization.

In pharmaceutical applications, 58530-47-5 serves as a precursor for drug discovery projects targeting inflammatory pathways. The compound's pyridine-oxygen linkage mimics structural motifs found in several FDA-approved drugs, sparking interest in its structure-activity relationships. Recent patent filings reveal its incorporation into kinase inhibitor scaffolds, with particular relevance to cancer research and metabolic disorder therapeutics. These developments align with current trends in personalized medicine and targeted therapy approaches dominating biomedical discussions.

The agrochemical sector utilizes 2-(Pyridin-4-yloxy)acetic acid in developing next-generation herbicides and plant growth regulators. Its structural similarity to auxin-like compounds enables modulation of plant physiological processes, addressing the industry's demand for eco-friendly crop solutions. With increasing focus on sustainable agriculture, researchers are exploring its potential in biodegradable formulations that minimize environmental persistence—a hot topic in regulatory circles and consumer-conscious markets.

From a synthetic chemistry perspective, CAS 58530-47-5 offers multiple derivatization opportunities. The carboxylic acid group permits amide coupling or esterification reactions, while the pyridine nitrogen allows for quaternization or coordination chemistry applications. These characteristics make it valuable for creating molecular libraries in combinatorial chemistry—a technique experiencing renewed interest with the rise of AI-assisted drug design platforms. Laboratories frequently search for optimized synthetic protocols involving this compound, particularly those emphasizing atom economy and green chemistry principles.

Quality control of 2-(Pyridin-4-yloxy)acetic acid requires stringent analytical methods. HPLC with UV detection (typically at 254 nm) remains the gold standard for purity assessment, with most commercial samples guaranteeing ≥95% purity. Advanced users often inquire about chiral separation techniques, as the compound's potential stereospecific bioactivity becomes increasingly relevant. Mass spectrometry and NMR characterization (showing distinctive peaks at δ 8.5 ppm for pyridine protons) are equally crucial for structural confirmation—topics frequently discussed in analytical chemistry forums.

Market trends indicate rising demand for 58530-47-5 among contract research organizations and academic laboratories. Suppliers report increased inquiries about bulk quantities and custom synthesis options, reflecting its expanding application scope. The compound's supply chain stability and regulatory compliance status (not classified under hazardous categories) make it attractive for global research initiatives, especially those aligned with United Nations Sustainable Development Goals for responsible innovation.

Future research directions for 2-(Pyridin-4-yloxy)acetic acid may explore its nanomaterial functionalization potential or bioconjugation capabilities for diagnostic applications. The scientific community shows growing interest in its computational modeling parameters—a reflection of the broader shift toward in silico screening methods. As interdisciplinary research expands, this compound's role in bridging chemical biology and materials science continues to evolve, positioning it as a molecule to watch in coming years.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:58530-47-5)2-(Pyridin-4-yloxy)acetic acid
A917719
Purity:99%/99%
Quantity:1g/5g
Price ($):266.0/769.0
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