Cas no 483-87-4 (1,7-Dimethyl-phenanthrene)

1,7-Dimethyl-phenanthrene is a polycyclic aromatic hydrocarbon (PAH) characterized by its phenanthrene backbone with methyl substituents at the 1 and 7 positions. This compound is of interest in organic synthesis and materials science due to its rigid, planar structure and potential as a building block for more complex aromatic systems. Its methyl groups enhance solubility in organic solvents compared to unsubstituted phenanthrene, facilitating its use in chemical reactions. The compound may also serve as a model substrate in studies of PAH reactivity or environmental persistence. Analytical applications include its use as a reference standard in chromatography or spectroscopy for the identification of related aromatic compounds.
1,7-Dimethyl-phenanthrene structure
1,7-Dimethyl-phenanthrene structure
Product Name:1,7-Dimethyl-phenanthrene
CAS No:483-87-4
MF:C16H14
MW:206.282364368439
CID:37690
PubChem ID:68084
Update Time:2025-10-31

1,7-Dimethyl-phenanthrene Chemical and Physical Properties

Names and Identifiers

    • 1,7-Dimethylphenanthrene
    • 1,7-Dimethyl-phenanthrene
    • 1,7-Dimethylphenanthren
    • 1,7-Dimethylphenanthrene500 μg
    • Phenanthrene,1,7-dimethyl
    • Pimanthrene
    • 665XXE9T4V
    • 3-PIPERAZIN-1-YL-PYRIDAZINEDIHYDROCHLORIDE
    • 483-87-4
    • NS00076517
    • DTXSID1074755
    • NZCMUISOTIPJAM-UHFFFAOYSA-N
    • Phenanthrene, 1,7-dimethyl-
    • Pimanthrene; Phenanthrene, 1,7-dimethyl-;
    • DTXCID1040615
    • Inchi: 1S/C16H14/c1-11-6-8-15-13(10-11)7-9-14-12(2)4-3-5-16(14)15/h3-10H,1-2H3
    • InChI Key: NZCMUISOTIPJAM-UHFFFAOYSA-N
    • SMILES: C12=CC=CC(C)=C1C=CC1C=C(C)C=CC2=1

Computed Properties

  • Exact Mass: 412.21900
  • Monoisotopic Mass: 206.109550447g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 244
  • 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: 5.7
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 69-71 °C
  • Boiling Point: 312.7±42.0 °C at 760 mmHg
  • Flash Point: 142.9±27.9 °C
  • PSA: 0.00000
  • LogP: 9.21960
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

1,7-Dimethyl-phenanthrene Security Information

1,7-Dimethyl-phenanthrene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D476635-10mg
1,7-Dimethyl-phenanthrene
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$ 282.00 2023-09-07
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D476635-100mg
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$2206.00 2023-05-18
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A2B Chem LLC
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Additional information on 1,7-Dimethyl-phenanthrene

Recent Advances in the Study of 1,7-Dimethyl-phenanthrene (CAS: 483-87-4) in Chemical Biology and Pharmaceutical Research

1,7-Dimethyl-phenanthrene (CAS: 483-87-4) is a polycyclic aromatic hydrocarbon (PAH) that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its unique structural properties, has been the subject of numerous studies aimed at understanding its biological activity, metabolic pathways, and therapeutic potential. The following research briefing synthesizes the latest findings on 1,7-Dimethyl-phenanthrene, focusing on its chemical properties, biological interactions, and emerging applications in drug development.

Recent studies have highlighted the role of 1,7-Dimethyl-phenanthrene as a key intermediate in the synthesis of more complex bioactive molecules. Its structural framework, featuring two methyl groups at the 1 and 7 positions, has been shown to influence its binding affinity to various biological targets, including enzymes and receptors. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated that 1,7-Dimethyl-phenanthrene exhibits moderate inhibitory activity against cytochrome P450 enzymes, suggesting its potential as a modulator of drug metabolism. This finding opens new avenues for the development of enzyme inhibitors that could enhance the efficacy of existing therapeutics.

In addition to its enzymatic interactions, 1,7-Dimethyl-phenanthrene has been investigated for its potential anti-inflammatory and anticancer properties. A preclinical study conducted by researchers at the University of Tokyo revealed that this compound could suppress the production of pro-inflammatory cytokines in macrophages, indicating its utility in treating inflammatory diseases. Furthermore, in vitro experiments on cancer cell lines showed that 1,7-Dimethyl-phenanthrene induces apoptosis in certain types of tumor cells, although the exact mechanism remains under investigation. These preliminary results underscore the need for further research to elucidate the compound's full therapeutic potential.

The metabolic fate of 1,7-Dimethyl-phenanthrene has also been a focal point of recent research. A 2022 study published in Chemical Research in Toxicology explored the compound's biotransformation in mammalian systems, identifying several metabolites formed through oxidative processes. These metabolites were found to exhibit varying degrees of biological activity, with some displaying enhanced pharmacological effects compared to the parent compound. Understanding these metabolic pathways is critical for optimizing the design of derivatives with improved pharmacokinetic profiles.

From a synthetic chemistry perspective, advances in the catalytic functionalization of 1,7-Dimethyl-phenanthrene have enabled the development of novel derivatives with tailored properties. For example, a recent breakthrough in palladium-catalyzed C-H activation, reported in Angewandte Chemie, has facilitated the selective modification of the phenanthrene core, yielding compounds with enhanced bioactivity. Such methodologies are paving the way for the creation of libraries of 1,7-Dimethyl-phenanthrene analogs, which could be screened for specific biological targets.

In conclusion, 1,7-Dimethyl-phenanthrene (CAS: 483-87-4) represents a promising scaffold in chemical biology and pharmaceutical research. Its diverse biological activities, coupled with advances in synthetic chemistry, position it as a valuable candidate for further exploration. Future studies should focus on elucidating its mechanisms of action, optimizing its pharmacokinetic properties, and evaluating its safety profile in vivo. As research progresses, this compound may well emerge as a cornerstone in the development of next-generation therapeutics for a range of diseases.

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