Cas no 56529-67-0 (Benzyl 5-bromo-2-hydroxybenzoate)

Benzyl 5-bromo-2-hydroxybenzoate is a brominated aromatic ester derivative of salicylic acid, commonly utilized as an intermediate in organic synthesis and pharmaceutical research. Its key structural features include a hydroxyl group and a bromine substituent on the benzene ring, enhancing its reactivity in electrophilic and nucleophilic transformations. The benzyl ester moiety improves solubility in organic solvents, facilitating purification and further functionalization. This compound is particularly valuable in the synthesis of bioactive molecules, including potential drug candidates, due to its ability to serve as a versatile building block. Its stability under standard conditions ensures reliable handling and storage for laboratory applications.
Benzyl 5-bromo-2-hydroxybenzoate structure
56529-67-0 structure
Product Name:Benzyl 5-bromo-2-hydroxybenzoate
CAS No:56529-67-0
MF:C14H11BrO3
MW:307.139343500137
CID:1030565
PubChem ID:7786406
Update Time:2025-10-30

Benzyl 5-bromo-2-hydroxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzyl 5-bromo-2-hydroxybenzoate
    • 5-broMo-2-hydroxybenzoate
    • benzyl 5-bromo-2-hydroxy-benzoate
    • Benzyl5-bromo-2-hydroxybenzoate
    • DTXSID10428933
    • 56529-67-0
    • AKOS015856320
    • A831075
    • DB-072151
    • Inchi: 1S/C14H11BrO3/c15-11-6-7-13(16)12(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-8,16H,9H2
    • InChI Key: HVRNODKHDGQLGQ-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1)C(=O)OCC1C=CC=CC=1)O

Computed Properties

  • Exact Mass: 305.98913
  • Monoisotopic Mass: 305.989
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 276
  • 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: 5.1
  • Topological Polar Surface Area: 46.5A^2

Experimental Properties

  • Density: 1.516
  • Boiling Point: 389.732°C at 760 mmHg
  • Flash Point: 189.504°C
  • Refractive Index: 1.63
  • PSA: 46.53

Benzyl 5-bromo-2-hydroxybenzoate Pricemore >>

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Benzyl 5-bromo-2-hydroxybenzoate Suppliers

Amadis Chemical Company Limited
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(CAS:56529-67-0)Benzyl 5-bromo-2-hydroxybenzoate
Order Number:A831075
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:20
Price ($):223.0

Benzyl 5-bromo-2-hydroxybenzoate Related Literature

Additional information on Benzyl 5-bromo-2-hydroxybenzoate

Benzyl 5-bromo-2-hydroxybenzoate (CAS No. 56529-67-0): A Comprehensive Overview in Modern Chemical Research

Benzyl 5-bromo-2-hydroxybenzoate, with the chemical identifier CAS No. 56529-67-0, is a compound of significant interest in the field of pharmaceutical chemistry and synthetic biology. This molecule, characterized by its benzyl ester group and the presence of both bromine and hydroxyl substituents on the aromatic ring, has garnered attention due to its versatile applications in drug development and material science. The unique structural features of Benzyl 5-bromo-2-hydroxybenzoate make it a valuable intermediate in the synthesis of various bioactive molecules, including potential therapeutic agents.

The compound's molecular structure, consisting of a phenolic hydroxyl group and a brominated ring, positions it as a promising candidate for further functionalization. This dual reactivity allows for the introduction of additional functional groups, making it a useful building block in organic synthesis. Recent studies have highlighted its role in the development of novel antimicrobial agents, where the bromine atom serves as a handle for further chemical modifications, enhancing the compound's efficacy against resistant bacterial strains.

In the realm of medicinal chemistry, Benzyl 5-bromo-2-hydroxybenzoate has been explored for its potential as an intermediate in the synthesis of kinase inhibitors. Kinases are enzymes involved in numerous cellular processes, and their dysregulation is often associated with various diseases, including cancer. By leveraging the reactivity of the bromine and hydroxyl groups, researchers have been able to develop derivatives that exhibit inhibitory activity against specific kinases, thereby opening new avenues for therapeutic intervention.

Moreover, the compound has shown promise in materials science applications. Its ability to form stable complexes with metal ions has led to investigations into its use as a ligand in coordination chemistry. These complexes have been studied for their catalytic properties and potential applications in industrial processes. The hydroxyl group's ability to coordinate with metals while maintaining stability makes Benzyl 5-bromo-2-hydroxybenzoate an attractive candidate for such applications.

Recent advancements in computational chemistry have also contributed to a deeper understanding of Benzyl 5-bromo-2-hydroxybenzoate's reactivity and interaction with biological targets. Molecular modeling studies have provided insights into how structural modifications can enhance binding affinity and selectivity, guiding the design of more effective derivatives. These computational approaches are increasingly integrated into drug discovery pipelines, accelerating the development of novel therapeutics.

The synthesis of Benzyl 5-bromo-2-hydroxybenzoate itself is another area of active research. Optimizing synthetic routes to improve yield and purity is crucial for its application in pharmaceuticals. Recent methodologies have focused on greener chemistry principles, utilizing catalytic systems that minimize waste and energy consumption. Such advancements not only enhance efficiency but also align with global efforts to promote sustainable chemical practices.

In conclusion, Benzyl 5-bromo-2-hydroxybenzoate (CAS No. 56529-67-0) represents a multifaceted compound with broad applications across chemical research. Its unique structural features enable diverse functionalizations, making it a valuable tool in drug development, material science, and catalysis. As research continues to uncover new possibilities, this compound is poised to play an increasingly important role in advancing scientific and technological innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:56529-67-0)Benzyl 5-bromo-2-hydroxybenzoate
A831075
Purity:99%
Quantity:1g
Price ($):223.0
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