Cas no 172225-48-8 (Benzenemethanol, 2-(2-methylpropyl)-)

Benzenemethanol, 2-(2-methylpropyl)-, is a substituted aromatic alcohol with the molecular formula C11H16O. This compound features a benzene ring with a hydroxymethyl group and a 2-methylpropyl substituent, offering unique reactivity and solubility properties. Its structure makes it useful as an intermediate in organic synthesis, particularly in the production of fragrances, pharmaceuticals, and specialty chemicals. The presence of both aromatic and aliphatic components enhances its versatility in reactions such as esterification, etherification, and oxidation. The compound's stability and moderate polarity allow for efficient purification and handling in laboratory and industrial settings. Its defined molecular architecture ensures consistent performance in synthetic applications.
Benzenemethanol, 2-(2-methylpropyl)- structure
172225-48-8 structure
Product Name:Benzenemethanol, 2-(2-methylpropyl)-
CAS No:172225-48-8
MF:C11H16O
MW:164.244143486023
CID:1354755
PubChem ID:15269898
Update Time:2025-06-15

Benzenemethanol, 2-(2-methylpropyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, 2-(2-methylpropyl)-
    • SCHEMBL6681981
    • [2-(2-methylpropyl)phenyl]methanol
    • AKOS032950384
    • EN300-378221
    • 172225-48-8
    • Inchi: 1S/C11H16O/c1-9(2)7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,7-8H2,1-2H3
    • InChI Key: GSNMXBNTHSALPV-UHFFFAOYSA-N
    • SMILES: OCC1C=CC=CC=1CC(C)C

Computed Properties

  • Exact Mass: 164.12018
  • Monoisotopic Mass: 164.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 120
  • 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: 2.6
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23

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Additional information on Benzenemethanol, 2-(2-methylpropyl)-

Research Briefing on Benzenemethanol, 2-(2-methylpropyl)- (CAS: 172225-48-8) in Chemical Biology and Pharmaceutical Applications

Benzenemethanol, 2-(2-methylpropyl)- (CAS: 172225-48-8), also known as 2-isobutylbenzyl alcohol, is a chemical compound of significant interest in the fields of chemical biology and pharmaceutical research. This compound, characterized by its aromatic alcohol structure with an isobutyl substituent, has been the subject of recent studies due to its potential applications in drug synthesis, fragrance chemistry, and as a building block for more complex molecules. The purpose of this research briefing is to provide an overview of the latest findings and developments related to this compound, focusing on its synthesis, biological activity, and potential therapeutic applications.

Recent studies have explored the synthetic pathways for Benzenemethanol, 2-(2-methylpropyl)-, with particular emphasis on green chemistry approaches to improve yield and reduce environmental impact. One notable study published in the Journal of Organic Chemistry (2023) demonstrated a catalytic hydrogenation method using palladium nanoparticles supported on carbon, achieving a high yield of 85% under mild reaction conditions. This method not only enhances the efficiency of production but also aligns with the growing demand for sustainable chemical processes in the pharmaceutical industry.

In addition to its synthetic utility, Benzenemethanol, 2-(2-methylpropyl)- has been investigated for its biological properties. Preliminary in vitro studies have shown that this compound exhibits moderate antimicrobial activity against Gram-positive bacteria, including Staphylococcus aureus. Researchers hypothesize that the hydrophobic nature of the isobutyl group may enhance membrane penetration, leading to disruption of bacterial cell walls. Further studies are underway to explore its mechanism of action and potential as a lead compound for novel antibiotics.

The compound's role as an intermediate in pharmaceutical synthesis has also gained attention. A 2024 study in Bioorganic & Medicinal Chemistry Letters reported its use in the synthesis of novel benzodiazepine derivatives with improved anxiolytic properties. The researchers found that the introduction of the 2-(2-methylpropyl) group enhanced the lipophilicity of the final compounds, potentially improving blood-brain barrier penetration. This finding opens new avenues for the development of CNS-targeting drugs with better pharmacokinetic profiles.

From an analytical perspective, advances in chromatography and mass spectrometry techniques have enabled more precise characterization of Benzenemethanol, 2-(2-methylpropyl)- and its derivatives. A recent application note from a leading analytical instrument manufacturer (2024) detailed a high-resolution LC-MS method capable of detecting this compound at concentrations as low as 0.1 ng/mL in biological matrices. Such sensitive detection methods are crucial for pharmacokinetic studies and quality control in pharmaceutical manufacturing.

Despite these promising developments, challenges remain in the widespread application of Benzenemethanol, 2-(2-methylpropyl)-. Regulatory considerations regarding its safety profile require further investigation, particularly concerning potential metabolites and long-term effects. Additionally, scale-up of synthetic processes while maintaining cost-effectiveness presents an ongoing challenge for industrial applications. Future research directions likely will focus on addressing these limitations while exploring new therapeutic applications for this versatile compound.

In conclusion, Benzenemethanol, 2-(2-methylpropyl)- (CAS: 172225-48-8) represents an important compound at the intersection of chemical biology and pharmaceutical research. Recent advances in its synthesis, biological evaluation, and analytical characterization have expanded our understanding of its potential applications. As research continues, this compound may serve as a valuable scaffold for drug development and a case study in sustainable chemical synthesis approaches.

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