Cas no 60783-92-8 (5-Bromo-2-butoxybenzoic Acid)

5-Bromo-2-butoxybenzoic Acid is a brominated aromatic carboxylic acid derivative characterized by its butoxy substituent at the ortho position relative to the carboxyl group. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The bromine moiety enhances reactivity for further functionalization, while the butoxy group contributes to solubility and steric modulation. Its well-defined structure and purity make it suitable for precise synthetic applications. The compound’s stability under standard conditions ensures reliable handling and storage, supporting its use in research and industrial processes requiring controlled bromination or ether-linked aromatic systems.
5-Bromo-2-butoxybenzoic Acid structure
5-Bromo-2-butoxybenzoic Acid structure
Product Name:5-Bromo-2-butoxybenzoic Acid
CAS No:60783-92-8
MF:C11H13BrO3
MW:273.123122930527
MDL:MFCD02729264
CID:495560
Update Time:2025-06-07

5-Bromo-2-butoxybenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 5-bromo-2-butoxy-
    • 5-Bromo-2-butoxybenzoic acid
    • AC1M15V6
    • ALBB-009008
    • ARONIS010931
    • BBL014086
    • CTK2E9113
    • MolPort-000-900-770
    • SBB049681
    • 5-Bromo-2-butoxybenzoic Acid
    • MDL: MFCD02729264
    • Inchi: 1S/C11H13BrO3/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
    • InChI Key: RCXOVWCSSBXAIH-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C(=O)O)C=1)OCCCC

Computed Properties

  • Exact Mass: 272.00479
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5

Experimental Properties

  • PSA: 46.53

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Additional information on 5-Bromo-2-butoxybenzoic Acid

Benzoic acid, 5-bromo-2-butoxy- (CAS No. 60783-92-8): A Comprehensive Overview in Modern Chemical Research

Benzoic acid, 5-bromo-2-butoxy- (CAS No. 60783-92-8) is a significant compound in the realm of organic chemistry, exhibiting a unique molecular structure that has garnered considerable attention from researchers worldwide. The compound's distinct chemical properties, stemming from its benzoic acid core and substituents such as 5-bromo and 2-butoxy, make it a versatile intermediate in pharmaceutical synthesis and industrial applications. This introduction delves into the compound's chemical characteristics, its role in contemporary research, and its potential implications in various scientific domains.

The molecular structure of Benzoic acid, 5-bromo-2-butoxy- (CAS No. 60783-92-8) consists of a benzene ring substituted with a carboxylic acid group at one position, a bromine atom at the fifth position, and a butoxy group at the second position. This arrangement imparts unique reactivity and functionality to the molecule, making it a valuable building block in synthetic chemistry. The presence of the 5-bromo moiety enhances electrophilic aromatic substitution reactions, while the 2-butoxy group introduces steric hindrance and influences solubility characteristics. These features are particularly advantageous in designing novel compounds for drug development.

In recent years, Benzoic acid, 5-bromo-2-butoxy- has been extensively studied for its potential applications in pharmaceuticals. Researchers have leveraged its structural motifs to develop new analogs with enhanced biological activity. For instance, derivatives of this compound have shown promise as intermediates in the synthesis of antifungal and antibacterial agents. The 5-bromo substituent plays a crucial role in modulating the electronic properties of the benzene ring, facilitating interactions with biological targets. This has led to several patents and ongoing clinical trials exploring its therapeutic efficacy.

The industrial significance of Benzoic acid, 5-bromo-2-butoxy- extends beyond pharmaceuticals into agrochemicals and specialty chemicals. Its derivatives are employed as flame retardants due to their ability to disrupt combustion processes effectively. Additionally, the compound's stability under various environmental conditions makes it suitable for use in coatings and adhesives. The 2-butoxy group contributes to its hydrophobicity, enhancing its performance in these applications. Recent advancements in green chemistry have also highlighted its role as a sustainable alternative in synthetic pathways, reducing waste and energy consumption.

From an academic perspective, the study of Benzoic acid, 5-bromo-2-butoxy- (CAS No. 60783-92-8) has contributed significantly to our understanding of molecular interactions and reaction mechanisms. Computational chemistry techniques have been instrumental in predicting the compound's behavior under different conditions, aiding researchers in designing experiments with greater precision. The integration of machine learning algorithms has further accelerated this process by identifying patterns in large datasets, leading to novel insights into its reactivity and potential uses.

The environmental impact of Benzoic acid, 5-bromo-2-butoxy- is another critical area of research. While it is not classified as a hazardous substance, its persistence in certain environments raises concerns about long-term ecological effects. Studies have investigated its degradation pathways and interactions with aquatic ecosystems to assess potential risks accurately. These findings are crucial for developing regulatory guidelines that ensure safe usage while maximizing benefits. Efforts are ongoing to develop biodegradable derivatives that minimize environmental impact without compromising efficacy.

In conclusion, Benzoic acid, 5-bromo-2-butoxy- (CAS No. 60783-92-8) represents a fascinating compound with diverse applications across multiple industries. Its unique chemical properties make it indispensable in pharmaceutical research, industrial processes, and environmental studies. As scientific understanding advances, new possibilities for utilizing this compound will continue to emerge, driving innovation and progress in various fields.

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