Cas no 5689-19-0 (Benzenemethanol, a,a-dicyclopropyl-)

Benzenemethanol, a,a-dicyclopropyl- structure
5689-19-0 structure
Product Name:Benzenemethanol, a,a-dicyclopropyl-
CAS No:5689-19-0
MF:C13H16O
MW:188.265543937683
CID:370765
PubChem ID:79770
Update Time:2025-07-18

Benzenemethanol, a,a-dicyclopropyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, a,a-dicyclopropyl-
    • 1,1-DICYCLOPROPYLBENZENEMETHANOL
    • NULL
    • Dicyclopropyl-phenyl-carbinol
    • Phenyl-dicyclopropyl-carbinol
    • FT-0622094
    • SCHEMBL894919
    • alpha,alpha-Dicyclopropylbenzyl alcohol
    • dicyclopropyl(phenyl)methanol
    • NS00046093
    • AKOS024318872
    • 5689-19-0
    • DTXSID30972322
    • EINECS 227-156-4
    • Inchi: 1S/C13H16O/c14-13(11-6-7-11,12-8-9-12)10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
    • InChI Key: FOGMKFIZSXPVNT-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC=CC=1)(C1CC1)C1CC1

Computed Properties

  • Exact Mass: 188.12000
  • Monoisotopic Mass: 188.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 197
  • 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
  • Surface Charge: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: Light yellow transparent liquid
  • Density: 0.9671 (rough estimate)
  • Boiling Point: 283.28°C (rough estimate)
  • Flash Point: 135.5°C
  • Refractive Index: 1.5425-1.5445
  • PSA: 20.23000
  • LogP: 2.69420
  • Solubility: Not determined

Benzenemethanol, a,a-dicyclopropyl- Security Information

  • Safety Instruction: S24/25
  • Safety Term:S24/25

Benzenemethanol, a,a-dicyclopropyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
1PlusChem
1P00E9W4-100mg
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Additional information on Benzenemethanol, a,a-dicyclopropyl-

Recent Advances in the Study of Benzenemethanol, α,α-Dicyclopropyl- (CAS 5689-19-0): A Comprehensive Research Brief

Benzenemethanol, α,α-dicyclopropyl- (CAS 5689-19-0) is a specialized chemical compound that has garnered increasing attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique dicyclopropyl-substituted benzene structure, has shown promising potential in various applications, including drug discovery, medicinal chemistry, and material science. Recent studies have focused on its synthesis, physicochemical properties, and biological activities, shedding light on its potential as a versatile building block or active pharmaceutical ingredient (API).

In the context of drug discovery, Benzenemethanol, α,α-dicyclopropyl- has been investigated for its role as a key intermediate in the synthesis of novel therapeutic agents. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its utility in the development of small-molecule inhibitors targeting protein-protein interactions (PPIs). The researchers highlighted the compound's ability to confer enhanced conformational rigidity to the resulting molecules, thereby improving binding affinity and selectivity. This property is particularly valuable in the design of drugs targeting challenging biological targets such as transcription factors and scaffolding proteins.

The synthetic chemistry of 5689-19-0 has seen significant advancements in recent years. A team from the University of Cambridge reported in 2024 a novel catalytic asymmetric synthesis route that achieves excellent enantioselectivity (>99% ee) for this compound. This breakthrough addresses previous challenges in obtaining optically pure forms of the molecule, which is crucial for pharmaceutical applications where chirality often determines biological activity. The new synthetic approach employs a chiral palladium catalyst system and has been shown to be scalable to multigram quantities, making it potentially valuable for industrial applications.

From a pharmacological perspective, recent in vitro studies have revealed interesting biological properties of Benzenemethanol, α,α-dicyclopropyl-. Research conducted at the National Institutes of Health (2024) demonstrated moderate inhibitory activity against several cytochrome P450 enzymes, suggesting potential applications in drug metabolism modulation. Additionally, preliminary screening against a panel of cancer cell lines showed selective cytotoxicity against certain hematological malignancies, warranting further investigation into its potential as an anticancer scaffold.

The physicochemical characterization of 5689-19-0 has also been refined through recent studies. Advanced computational modeling combined with experimental data has provided detailed insights into its conformational preferences and electronic properties. These findings, published in the Journal of Physical Chemistry A (2023), are particularly relevant for understanding the compound's behavior in different solvent systems and its interactions with biological targets. The studies confirmed the significant influence of the dicyclopropyl groups on the molecule's overall polarity and lipophilicity, parameters critical for drug design.

Looking forward, several research groups have proposed innovative applications for Benzenemethanol, α,α-dicyclopropyl- beyond traditional pharmaceutical uses. A 2024 patent application describes its incorporation into novel liquid crystal materials with potential applications in display technologies. Another emerging area of interest is its use as a chiral auxiliary in asymmetric synthesis, leveraging its rigid structure to induce high levels of stereocontrol in various transformations.

In conclusion, recent research on Benzenemethanol, α,α-dicyclopropyl- (5689-19-0) has significantly expanded our understanding of this versatile compound. From improved synthetic methods to novel biological activities and material science applications, these developments highlight its growing importance in multiple scientific domains. As research continues, particularly in the areas of medicinal chemistry and materials science, we anticipate seeing further innovative applications of this structurally unique molecule.

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