Cas no 1131587-70-6 (Isobutyl 2-amino-5-bromobenzoate)

Isobutyl 2-amino-5-bromobenzoate structure
1131587-70-6 structure
Product Name:Isobutyl 2-amino-5-bromobenzoate
CAS No:1131587-70-6
MF:C11H14BrNO2
MW:272.138362407684
CID:1030548
PubChem ID:44829025
Update Time:2025-07-21

Isobutyl 2-amino-5-bromobenzoate Chemical and Physical Properties

Names and Identifiers

    • Isobutyl 2-amino-5-bromobenzoate
    • 2-methylpropyl 2-amino-5-bromobenzoate
    • 2-amino-5-bromobenzoic acid 2-methylpropyl ester
    • 1131587-70-6
    • DTXSID20661112
    • Isobutyl2-amino-5-bromobenzoate
    • isobutyl 2-amino-5-bromo-benzoate
    • AKOS009165726
    • DB-060309
    • A802781
    • Inchi: 1S/C11H14BrNO2/c1-7(2)6-15-11(14)9-5-8(12)3-4-10(9)13/h3-5,7H,6,13H2,1-2H3
    • InChI Key: JJHUFQGZAGQVRZ-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1)C(=O)OCC(C)C)N

Computed Properties

  • Exact Mass: 271.02079g/mol
  • Monoisotopic Mass: 271.02079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 221
  • 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: 4.7
  • Topological Polar Surface Area: 52.3?2

Isobutyl 2-amino-5-bromobenzoate Pricemore >>

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Additional information on Isobutyl 2-amino-5-bromobenzoate

Comprehensive Overview of Isobutyl 2-amino-5-bromobenzoate (CAS No. 1131587-70-6)

Isobutyl 2-amino-5-bromobenzoate (CAS No. 1131587-70-6) is a specialized organic compound widely utilized in pharmaceutical and agrochemical research. This brominated benzoate derivative is gaining attention due to its unique structural properties, which make it a valuable intermediate in the synthesis of bioactive molecules. Researchers are particularly interested in its potential applications in drug discovery and crop protection, aligning with current trends in sustainable agriculture and precision medicine.

The compound's molecular structure features an amino group and a bromine substituent, which contribute to its reactivity and versatility in chemical transformations. With the growing demand for high-purity intermediates in the pharmaceutical industry, Isobutyl 2-amino-5-bromobenzoate has become a subject of interest for chemists exploring novel heterocyclic compounds. Its CAS number 1131587-70-6 serves as a critical identifier in regulatory documentation and scientific literature.

Recent studies highlight the compound's role in developing small-molecule inhibitors, a hot topic in cancer research and inflammatory disease therapeutics. The bromine atom in its structure allows for further functionalization through cross-coupling reactions, making it a versatile building block for medicinal chemistry applications. This aligns with the increasing focus on targeted drug delivery systems, a frequently searched topic in scientific databases.

In the agrochemical sector, Isobutyl 2-amino-5-bromobenzoate is being investigated for its potential as a precursor to novel pesticides with improved environmental profiles. As the industry shifts toward green chemistry principles, this compound's modifiable structure offers opportunities to develop biodegradable agrochemicals – a subject of intense research and public interest.

The synthesis and characterization of Isobutyl 2-amino-5-bromobenzoate require specialized knowledge in organic synthesis techniques. Analytical methods such as HPLC purification and NMR spectroscopy are typically employed to ensure the compound's purity and structural integrity. These quality control measures are crucial for researchers who frequently search for reliable synthetic protocols and analytical validation methods.

From a commercial perspective, the global market for fine chemical intermediates like Isobutyl 2-amino-5-bromobenzoate is expanding rapidly. Pharmaceutical companies and research institutions are increasingly seeking custom synthesis services for such specialized compounds, driving innovation in process chemistry and scale-up technologies.

Environmental considerations are also shaping research directions for this compound. Scientists are exploring green synthetic routes to produce Isobutyl 2-amino-5-bromobenzoate with reduced waste generation and energy consumption. This approach resonates with the growing emphasis on sustainable chemistry practices in both academic and industrial settings.

The stability and storage conditions of Isobutyl 2-amino-5-bromobenzoate (CAS No. 1131587-70-6) are frequently discussed in technical forums. Proper handling under controlled environments ensures the compound's longevity and maintains its chemical properties, which is crucial for reproducible research outcomes – a key concern for scientists searching for compound stability data.

As patent landscapes evolve, Isobutyl 2-amino-5-bromobenzoate continues to appear in intellectual property filings related to innovative therapeutic agents and agricultural formulations. This trend underscores the compound's commercial potential and the importance of patent literature searches for researchers in these fields.

Future research directions may explore the compound's potential in material science applications, particularly in the development of functional polymers and advanced coatings. The versatility of brominated aromatic compounds like Isobutyl 2-amino-5-bromobenzoate makes them attractive candidates for interdisciplinary research at the chemistry-materials interface.

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