Cas no 1096806-43-7 (3-amino-4-isobutoxybenzoic Acid)

3-Amino-4-isobutoxybenzoic acid is a benzoic acid derivative featuring both amino and isobutoxy functional groups, making it a versatile intermediate in organic synthesis and pharmaceutical applications. Its molecular structure allows for selective modifications, enabling its use in the development of fine chemicals, agrochemicals, and active pharmaceutical ingredients (APIs). The compound exhibits favorable solubility in common organic solvents, facilitating its incorporation into synthetic pathways. Its amino group provides a reactive site for further derivatization, while the isobutoxy moiety enhances lipophilicity, which can be advantageous in drug design. This compound is particularly useful in medicinal chemistry for constructing bioactive molecules with tailored properties.
3-amino-4-isobutoxybenzoic Acid structure
1096806-43-7 structure
Product Name:3-amino-4-isobutoxybenzoic Acid
CAS No:1096806-43-7
MF:C11H15NO3
MW:209.241703271866
MDL:MFCD12168706
CID:1188127
PubChem ID:20217459
Update Time:2025-05-20

3-amino-4-isobutoxybenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-amino-4-isobutoxybenzoic Acid
    • PS-5023
    • WTB80643
    • 3-Amino-4-(2-methylpropoxy)benzoic acid
    • AKOS009475174
    • 3-Amino-4-isobutoxybenzoicacid
    • MFCD12168706
    • SCHEMBL10798892
    • 1096806-43-7
    • SB78680
    • MDL: MFCD12168706
    • Inchi: 1S/C11H15NO3/c1-7(2)6-15-10-4-3-8(11(13)14)5-9(10)12/h3-5,7H,6,12H2,1-2H3,(H,13,14)
    • InChI Key: PFKFAAZXTCLEOI-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C(=O)O)=CC=1N)CC(C)C

Computed Properties

  • Exact Mass: 209.10519334g/mol
  • Monoisotopic Mass: 209.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 218
  • 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: 2.3
  • Topological Polar Surface Area: 72.6?2

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Additional information on 3-amino-4-isobutoxybenzoic Acid

3-Amino-4-isobutoxybenzoic Acid (CAS 1096806-43-7): A Comprehensive Overview

3-Amino-4-isobutoxybenzoic Acid (CAS 1096806-43-7) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This benzoic acid derivative is characterized by its unique molecular structure, featuring an amino group and an isobutoxy substituent, which contribute to its diverse applications. The compound's chemical formula and molecular weight make it a valuable intermediate in synthetic chemistry, particularly in the development of novel drug candidates.

The physical and chemical properties of 3-Amino-4-isobutoxybenzoic Acid play a crucial role in its utility. With a solubility profile that varies across different solvents, this compound is often utilized in organic synthesis and medicinal chemistry. Researchers have explored its potential in designing small molecule inhibitors and biologically active compounds, leveraging its structural features to enhance binding affinity and selectivity.

In recent years, the demand for 3-Amino-4-isobutoxybenzoic Acid has surged due to its relevance in drug discovery and biochemical research. Its applications extend to the development of therapeutic agents targeting various diseases, including inflammation and metabolic disorders. The compound's synthetic versatility allows for modifications that can optimize pharmacokinetic properties, making it a focal point in pharmaceutical innovation.

The market dynamics for 3-Amino-4-isobutoxybenzoic Acid reflect its growing importance. As the pharmaceutical industry continues to prioritize precision medicine and targeted therapies, the need for high-quality chemical intermediates like this compound has intensified. Suppliers and manufacturers are investing in advanced synthesis techniques to meet the escalating demand while ensuring product purity and regulatory compliance.

From a research perspective, 3-Amino-4-isobutoxybenzoic Acid is often discussed in the context of structure-activity relationships (SAR). Scientists are keen on understanding how its functional groups influence biological activity, which is critical for optimizing drug candidates. Recent studies have highlighted its potential in enzyme inhibition and receptor modulation, further solidifying its role in biomedical applications.

For those seeking 3-Amino-4-isobutoxybenzoic Acid suppliers, it is essential to consider factors such as batch consistency, analytical data, and technical support. Reputable providers often offer detailed certificates of analysis (CoA) and custom synthesis options to cater to specific research needs. Additionally, the compound's storage conditions and handling guidelines are critical to maintaining its stability and performance in experimental settings.

Looking ahead, the future of 3-Amino-4-isobutoxybenzoic Acid appears promising, with ongoing investigations into its mechanistic pathways and therapeutic potential. As the scientific community delves deeper into its applications, this compound is poised to remain a key player in advancing chemical biology and drug development. Its integration into high-throughput screening platforms and combinatorial chemistry further underscores its versatility and value.

In summary, 3-Amino-4-isobutoxybenzoic Acid (CAS 1096806-43-7) stands out as a multifaceted compound with significant implications for pharmaceutical research and industrial chemistry. Its unique properties, coupled with its broad applicability, make it a subject of enduring interest for scientists and manufacturers alike. Whether you are exploring its synthetic routes or evaluating its biological effects, this compound offers a wealth of opportunities for innovation and discovery.

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