Cas no 885278-60-4 (4-Thiazolecarboxylicacid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester)

4-Thiazolecarboxylic acid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester is a specialized organic compound featuring a thiazole core substituted with a 3-(phenylmethoxy)phenyl group and an ethyl ester functionality. This structure imparts versatility in synthetic applications, particularly in pharmaceutical and agrochemical research, where it may serve as an intermediate or building block. The phenylmethoxy moiety enhances lipophilicity, potentially improving bioavailability in drug development. The ethyl ester group offers reactivity for further derivatization, such as hydrolysis or transesterification. Its well-defined molecular architecture makes it valuable for structure-activity relationship studies. The compound’s purity and stability under standard conditions ensure reliable performance in experimental workflows.
4-Thiazolecarboxylicacid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester structure
885278-60-4 structure
Product Name:4-Thiazolecarboxylicacid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester
CAS No:885278-60-4
MF:C19H17NO3S
MW:339.408183813095
CID:711577
PubChem ID:53407330
Update Time:2025-10-29

4-Thiazolecarboxylicacid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolecarboxylicacid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester
    • 2-(3-Benzyloxy-phenyl)-thiazole-4-carboxylic acid ethyl ester
    • 2-(3-BENZYLOXYPHENYL)THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER,
    • ethyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
    • 885278-60-4
    • DTXSID20695876
    • Ethyl2-(3-(benzyloxy)phenyl)thiazole-4-carboxylate
    • Ethyl 2-(3-(benzyloxy)phenyl)thiazole-4-carboxylate
    • 2-(3-benzyloxyphenyl)thiazole-4-carboxylic acid ethyl ester
    • AB26968
    • A861922
    • Ethyl 2-[3-(benzyloxy)phenyl]-1,3-thiazole-4-carboxylate
    • FT-0717055
    • 2-(3-BENZYLOXY-PHENYL)-THIAZOLE-4-CARBOXYLICACIDETHYLESTER
    • Inchi: 1S/C19H17NO3S/c1-2-22-19(21)17-13-24-18(20-17)15-9-6-10-16(11-15)23-12-14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3
    • InChI Key: SSXQYAVTKXTMJY-UHFFFAOYSA-N
    • SMILES: S1C=C(C(=O)OCC)N=C1C1C=CC=C(C=1)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 339.09300
  • Monoisotopic Mass: 339.093
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 7
  • Complexity: 400
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.6
  • Topological Polar Surface Area: 76.7A^2

Experimental Properties

  • PSA: 76.66000
  • LogP: 4.56580

4-Thiazolecarboxylicacid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester Customs Data

  • HS CODE:2934100090
  • Customs Data:

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

4-Thiazolecarboxylicacid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester Pricemore >>

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Additional information on 4-Thiazolecarboxylicacid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester

Comprehensive Overview of 4-Thiazolecarboxylicacid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester (CAS No. 885278-60-4)

The compound 4-Thiazolecarboxylicacid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester (CAS No. 885278-60-4) is a specialized organic molecule that has garnered significant attention in pharmaceutical and agrochemical research. Its unique structure, featuring a thiazole ring and a phenylmethoxy group, makes it a valuable intermediate in the synthesis of bioactive compounds. Researchers are particularly interested in its potential applications in drug discovery, given its ability to modulate biological pathways.

In recent years, the demand for thiazole derivatives has surged due to their versatility in medicinal chemistry. The ethyl ester functional group in this compound enhances its solubility and bioavailability, which are critical factors in drug development. This aligns with the growing trend of optimizing ADME properties (Absorption, Distribution, Metabolism, and Excretion) in pharmaceutical candidates. As such, 4-Thiazolecarboxylicacid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester is often explored in the context of structure-activity relationship (SAR) studies.

Another area of interest is the compound's potential role in agrochemical formulations. The phenylmethoxy moiety is known to contribute to the stability and efficacy of pesticides and herbicides. With the increasing focus on sustainable agriculture, researchers are investigating how this compound can be integrated into eco-friendly pest control solutions. This resonates with current discussions about green chemistry and reducing environmental impact.

The synthesis of 4-Thiazolecarboxylicacid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester typically involves multi-step organic reactions, including esterification and aryl ether formation. These processes are well-documented in the literature, but advancements in catalytic methods and microwave-assisted synthesis have improved yields and reduced reaction times. Such innovations are highly relevant to industrial applications, where efficiency and cost-effectiveness are paramount.

From a regulatory perspective, CAS No. 885278-60-4 is not classified as a hazardous substance, making it a safer option for laboratory and industrial use. This is particularly important given the increasing scrutiny of chemical safety in workplaces and the environment. Compliance with REACH and other global regulations ensures that this compound can be utilized without significant legal or ethical concerns.

In summary, 4-Thiazolecarboxylicacid, 2-[3-(phenylmethoxy)phenyl]-, ethyl ester represents a promising candidate for both pharmaceutical and agrochemical applications. Its structural features and functional groups make it a versatile building block in organic synthesis. As research continues to uncover its full potential, this compound is likely to remain a focal point in the quest for innovative and sustainable chemical solutions.

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