Cas no 501902-19-8 (3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine)

3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine is a heterocyclic compound featuring an oxazole core substituted with a 2,4-dichlorophenyl group and an amine functionality at the 5-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for the development of agrochemicals and pharmaceuticals. The dichlorophenyl moiety enhances lipophilicity, potentially improving bioavailability in active compounds. The amine group offers a versatile handle for further derivatization, enabling the formation of amides, imines, or other functionalized derivatives. Its well-defined molecular architecture ensures consistency in synthetic applications, while its stability under standard conditions facilitates handling and storage. This compound is particularly useful in medicinal chemistry for scaffold diversification.
3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine structure
501902-19-8 structure
Product Name:3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine
CAS No:501902-19-8
MF:C9H6Cl2N2O
MW:229.062739849091
CID:4672565
PubChem ID:3824249
Update Time:2025-05-27

3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine Chemical and Physical Properties

Names and Identifiers

    • 3-(2,4-dichlorophenyl)-1,2-oxazol-5-amine
    • 3-(2,4-Dichlorophenyl)isoxazol-5-amine
    • NE50625
    • BB 0218619
    • Z335439034
    • 3-(2,4-Dichlorophenyl)-5-isoxazolamine
    • 501902-19-8
    • DB-409996
    • EN300-73492
    • SCHEMBL23982542
    • G42964
    • AKOS000261620
    • BVA90219
    • 3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine
    • MDL: MFCD07383038
    • Inchi: 1S/C9H6Cl2N2O/c10-5-1-2-6(7(11)3-5)8-4-9(12)14-13-8/h1-4H,12H2
    • InChI Key: AMDYYTRPAZZNES-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1C1C=C(N)ON=1)Cl

Computed Properties

  • Exact Mass: 227.9857182g/mol
  • Monoisotopic Mass: 227.9857182g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 205
  • 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: 52
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 407.7±45.0 °C at 760 mmHg
  • Flash Point: 200.4±28.7 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine Security Information

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Additional information on 3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine

Comprehensive Overview of 3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine (CAS No. 501902-19-8)

3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine (CAS No. 501902-19-8) is a specialized organic compound that has garnered significant attention in the fields of medicinal chemistry and agrochemical research. This compound, characterized by its unique oxazole core and dichlorophenyl substitution, serves as a versatile intermediate in the synthesis of biologically active molecules. Researchers and industry professionals frequently search for terms like "oxazole derivatives applications", "dichlorophenyl compounds synthesis", and "CAS 501902-19-8 uses", reflecting its relevance in modern scientific inquiries.

The structural features of 3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine make it a valuable building block in drug discovery. Its oxazole ring is known for its role in enhancing pharmacokinetic properties, such as metabolic stability and bioavailability. Meanwhile, the 2,4-dichlorophenyl moiety contributes to its potential interactions with biological targets, a topic often explored in queries like "how does dichlorophenyl affect drug activity?". Recent studies highlight its utility in designing inhibitors for enzymes involved in inflammatory pathways, aligning with the growing interest in "anti-inflammatory drug development 2024".

In agrochemical applications, this compound has been investigated for its role in crop protection formulations. Searches for "oxazole-based pesticides" and "dichlorophenyl herbicides mode of action" underscore its significance in sustainable agriculture. The compound’s ability to modulate plant defense mechanisms has been a focal point in research, particularly in the context of "climate-resilient crop solutions", a trending topic among environmental scientists.

Synthetic methodologies for 3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine often involve multi-step reactions, including cyclization and functional group transformations. Laboratory protocols frequently referenced in searches like "efficient synthesis of oxazol-5-amines" emphasize the need for optimized yields and purity. Advanced techniques such as microwave-assisted synthesis and catalytic C-H activation have been explored to improve efficiency, resonating with the demand for "green chemistry approaches" in organic synthesis.

Analytical characterization of this compound typically employs techniques like NMR spectroscopy, mass spectrometry, and HPLC. These methods ensure precise identification and quality control, addressing common queries such as "how to analyze oxazole derivatives". The compound’s stability under various conditions is another area of interest, with researchers investigating its degradation profiles to meet regulatory standards for "pharmaceutical impurities" and "agrochemical safety".

Market trends indicate a rising demand for 3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine in niche applications, driven by its adaptability in custom synthesis. Industry reports often highlight its inclusion in "high-value chemical libraries" for drug screening, a topic frequently searched in conjunction with "CAS 501902-19-8 suppliers". Additionally, its potential in material science, particularly in the development of "organic electronic materials", has sparked curiosity among innovators exploring "next-generation semiconductors".

In summary, 3-(2,4-Dichlorophenyl)-1,2-oxazol-5-amine (CAS No. 501902-19-8) represents a multifaceted compound with broad applicability across scientific disciplines. Its integration into cutting-edge research and industrial workflows continues to inspire searches for "oxazole innovation trends" and "dichlorophenyl compound advancements", cementing its status as a cornerstone in modern chemistry.

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