Cas no 77635-17-7 (4-oxotetralin-5-carboxylic acid)

4-Oxotetralin-5-carboxylic acid is a bicyclic organic compound featuring a tetralone core with a carboxylic acid functional group at the 5-position. This structure makes it a valuable intermediate in synthetic organic chemistry, particularly for the preparation of pharmaceuticals and fine chemicals. Its ketone and carboxyl groups offer versatile reactivity for further functionalization, including condensation, reduction, or cyclization reactions. The compound’s rigid bicyclic framework can enhance the stability of derived molecules, making it useful in the design of bioactive compounds. High purity grades are available to ensure consistent performance in research and industrial applications. Proper handling and storage are recommended due to its reactive functional groups.
4-oxotetralin-5-carboxylic acid structure
77635-17-7 structure
Product Name:4-oxotetralin-5-carboxylic acid
CAS No:77635-17-7
MF:C11H10O3
MW:190.195303440094
MDL:MFCD18648041
CID:1015902
PubChem ID:12676395
Update Time:2025-11-06

4-oxotetralin-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 8-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
    • 4-oxotetralin-5-carboxylic acid
    • SY264601
    • CS-0455743
    • 77635-17-7
    • SCHEMBL3075146
    • FT-0735221
    • AKOS006320027
    • 8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid
    • DTXSID701213001
    • PZRRKRMQHIZTGR-UHFFFAOYSA-N
    • AC8616
    • 5,6,7,8-Tetrahydro-8-oxo-1-naphthalenecarboxylic acid
    • MFCD18648041
    • DA-17895
    • MDL: MFCD18648041
    • Inchi: 1S/C11H10O3/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14/h1,3,5H,2,4,6H2,(H,13,14)
    • InChI Key: PZRRKRMQHIZTGR-UHFFFAOYSA-N
    • SMILES: O=C1C2C(C(=O)O)=CC=CC=2CCC1

Computed Properties

  • Exact Mass: 190.062994177g/mol
  • Monoisotopic Mass: 190.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 259
  • 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: 1.5
  • Topological Polar Surface Area: 54.4?2

4-oxotetralin-5-carboxylic acid Pricemore >>

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Additional information on 4-oxotetralin-5-carboxylic acid

Introduction to 4-oxotetralin-5-carboxylic acid (CAS No. 77635-17-7)

4-oxotetralin-5-carboxylic acid, identified by the chemical compound code CAS No. 77635-17-7, is a significant intermediate in the realm of organic synthesis and pharmaceutical research. This compound, belonging to the tetralin family, exhibits a molecular structure that makes it a valuable precursor in the development of various biochemical applications. The presence of both a ketone group and a carboxylic acid moiety in its framework imparts unique reactivity, facilitating its use in synthetic pathways that are pivotal for medicinal chemistry advancements.

The structural configuration of 4-oxotetralin-5-carboxylic acid (CAS No. 77635-17-7) is characterized by a bicyclic system with an oxygenated ring, which is a common motif in many pharmacologically active molecules. This structural feature not only contributes to its stability but also enhances its potential as a building block for more complex derivatives. The carboxylic acid functionality at the fifth position relative to the oxo group provides a site for further chemical modifications, enabling the synthesis of esters, amides, and other functionalized derivatives that are of interest in drug discovery.

In recent years, there has been growing interest in the applications of tetralin derivatives, including 4-oxotetralin-5-carboxylic acid, due to their demonstrated utility in various therapeutic contexts. For instance, studies have highlighted the role of tetralin-based compounds in modulating biological pathways associated with neurological disorders. The unique electronic properties arising from the conjugated system and the heteroatom incorporation make these molecules attractive candidates for designing novel therapeutic agents.

One of the most compelling aspects of 4-oxotetralin-5-carboxylic acid (CAS No. 77635-17-7) is its versatility as a synthetic intermediate. Researchers have leveraged its reactivity to develop novel synthetic strategies that streamline the preparation of complex molecules. For example, palladium-catalyzed cross-coupling reactions have been employed to introduce diverse substituents at strategic positions within the tetralin core, thereby generating libraries of compounds with tailored biological activities.

The pharmaceutical industry has also shown keen interest in exploring the potential of 4-oxotetralin-5-carboxylic acid as a scaffold for drug development. Preclinical studies have indicated that derivatives of this compound exhibit promising effects on certain disease models, prompting further investigation into their mechanism of action and therapeutic efficacy. The ability to modify its structure allows for fine-tuning of pharmacokinetic and pharmacodynamic properties, which is crucial for optimizing drug performance.

Advances in computational chemistry have further enhanced the utility of 4-oxotetralin-5-carboxylic acid (CAS No. 77635-17-7) in drug discovery efforts. Molecular modeling techniques have been used to predict how different modifications to its structure might influence its biological activity, enabling researchers to design more effective candidates for clinical trials. This interdisciplinary approach combines traditional synthetic chemistry with cutting-edge computational methods, accelerating the pace at which new drugs are developed.

The environmental impact and sustainability considerations are also important when evaluating compounds like 4-oxotetralin-5-carboxylic acid (CAS No. 77635-17-7). Modern synthetic methodologies emphasize green chemistry principles, aiming to minimize waste and reduce hazardous byproducts during production processes. Innovations such as catalytic asymmetric synthesis and flow chemistry have been instrumental in achieving these goals, ensuring that the preparation of this compound is both efficient and environmentally benign.

Future directions in research on 4-oxotetralin-5-carboxylic acid (CAS No. 77635-17-7) may explore its potential applications beyond traditional pharmaceuticals. For example, its structural motifs could inspire new materials with unique properties or serve as inspiration for biodegradable polymers that are essential in sustainable manufacturing practices. The adaptability of this compound underscores its significance as a versatile chemical entity with broad utility across multiple scientific disciplines.

In conclusion, 4-oxotetralin-5-carboxylic acid (CAS No. 77635-17-7) represents a cornerstone in modern chemical synthesis and pharmaceutical research due to its unique structural features and reactivity profile. Its role as an intermediate has enabled significant advancements in drug development, while ongoing research continues to uncover new possibilities for its application across various fields. As scientific understanding evolves, it is likely that this compound will remain at the forefront of innovation in organic chemistry and medicinal science.

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