Cas no 20291-75-2 (1,2,8-Trimethyl-phenanthrene)

1,2,8-Trimethyl-phenanthrene is a polycyclic aromatic hydrocarbon (PAH) characterized by its three methyl substituents on the phenanthrene backbone. This compound is of interest in organic chemistry and materials science due to its structural rigidity and aromatic properties. It serves as a valuable intermediate in the synthesis of more complex PAHs and functionalized derivatives. Its methyl groups enhance solubility in organic solvents, facilitating purification and further chemical modifications. The compound is also studied for its potential role in understanding PAH formation mechanisms in combustion processes and environmental systems. High-purity grades are available for research applications requiring precise molecular characterization.
1,2,8-Trimethyl-phenanthrene structure
1,2,8-Trimethyl-phenanthrene structure
Product Name:1,2,8-Trimethyl-phenanthrene
CAS No:20291-75-2
MF:C17H16
MW:220.308944702148
CID:280361
PubChem ID:88469
Update Time:2025-10-29

1,2,8-Trimethyl-phenanthrene Chemical and Physical Properties

Names and Identifiers

    • Phenanthrene,1,2,8-trimethyl-
    • 1,2,8-Trimethyl-phenanthrene
    • 1,2,8-TRIMETHYLPHENANTHRENE
    • GSK-3787
    • 1.2.8-Trimethyl-phenanthren
    • EINECS 243-694-2
    • Phenanthrene,2,8-trimethyl
    • NSC-405727
    • DTXSID30174167
    • FT-0761615
    • Phenanthrene, 1,2,8-trimethyl-
    • NSC405727
    • D838QZ8UAX
    • Phenanthrene,2,8-trimethyl-
    • NSC 405727
    • 20291-75-2
    • NS00026574
    • Inchi: 1S/C17H16/c1-11-7-8-17-15(13(11)3)10-9-14-12(2)5-4-6-16(14)17/h4-10H,1-3H3
    • InChI Key: WWSRSGUHNCVWLP-UHFFFAOYSA-N
    • SMILES: C12=CC=C(C)C(C)=C1C=CC1C(C)=CC=CC2=1

Computed Properties

  • Exact Mass: 220.12500
  • Monoisotopic Mass: 220.125200510g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 269
  • 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: 5.9
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0.00000
  • LogP: 4.91820

1,2,8-Trimethyl-phenanthrene Security Information

1,2,8-Trimethyl-phenanthrene Customs Data

  • HS CODE:2902909090
  • Customs Data:

    China Customs Code:

    2902909090

    Overview:

    2902909090. Other aromatic hydrocarbons. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:2.0%. general tariff:30.0%

    Declaration elements:

    Product Name, component content

    Summary:

    2902909090 other aromatic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

1,2,8-Trimethyl-phenanthrene Pricemore >>

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1,2,8-Trimethyl-phenanthrene Related Literature

Additional information on 1,2,8-Trimethyl-phenanthrene

Introduction to 1,2,8-Trimethyl-phenanthrene (CAS No. 20291-75-2)

1,2,8-Trimethyl-phenanthrene, identified by the Chemical Abstracts Service Number (CAS No.) 20291-75-2, is a polycyclic aromatic hydrocarbon (PAH) derivative that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This compound belongs to the family of phenanthrenes, which are characterized by a fused three-ring structure consisting of two benzene rings and one pyrrole ring. The presence of methyl substituents at the 1, 2, and 8 positions imparts unique electronic and steric properties to 1,2,8-Trimethyl-phenanthrene, making it a subject of interest for various applications in material science and medicinal chemistry.

The structural motif of 1,2,8-Trimethyl-phenanthrene contributes to its potential as a building block for more complex molecules. Its aromaticity and conjugated system make it a candidate for applications in organic electronics, such as in the development of light-emitting diodes (LEDs) and organic photovoltaics. Additionally, the compound's stability under various conditions enhances its suitability for industrial applications where thermal and chemical resistance are critical.

In recent years, research into PAH derivatives like 1,2,8-Trimethyl-phenanthrene has expanded beyond materials science into pharmaceutical applications. The compound's ability to interact with biological targets has been explored in the context of drug discovery. Specifically, studies have investigated its potential as a precursor or analog for molecules that may exhibit anti-cancer or anti-inflammatory properties. The methyl groups in 1,2,8-Trimethyl-phenanthrene can be strategically modified to enhance binding affinity to specific receptors or enzymes, a key consideration in medicinal chemistry.

One of the most intriguing aspects of 1,2,8-Trimethyl-phenanthrene is its reactivity and functionalization potential. Researchers have demonstrated methods to introduce additional functional groups into the molecule while preserving its core structure. This flexibility allows chemists to tailor the properties of 1,2,8-Trimethyl-phenanthrene for specific applications. For instance, hydroxyl or carboxyl groups can be incorporated to create derivatives with enhanced solubility or bioavailability.

The synthesis of 1,2,8-Trimethyl-phenanthrene typically involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic techniques such as cross-coupling reactions and metathesis have been employed to construct the desired framework efficiently. The development of novel synthetic routes not only improves yield but also reduces waste, aligning with green chemistry principles.

Recent advancements in computational chemistry have further enhanced the understanding of 1,2,8-Trimethyl-phenanthrene's properties. Molecular modeling studies have provided insights into its electronic structure and reactivity pathways. These computational approaches are invaluable for predicting the behavior of complex molecules before experimental synthesis is undertaken.

In addition to its synthetic significance, 1,2,8-Trimethyl-phenanthrene has been studied for its environmental implications. While PAHs are known for their persistence in the environment and potential toxicity at high concentrations, research on derivatives like 1,2,8-Trimethyl-phenanthrene aims to mitigate these concerns through careful design and application. Understanding how these compounds interact with ecosystems is crucial for developing sustainable practices in their use.

The pharmaceutical industry has shown particular interest in exploring 1,2,8-Trimethyl-phenanthrene as a scaffold for drug candidates. Its structural similarity to natural products and other bioactive molecules makes it an attractive starting point for medicinal chemists. By leveraging computational screening and high-throughput experimentation (HTE), researchers can rapidly identify promising derivatives with enhanced therapeutic profiles.

Another area where 1,2,8-Trimethyl-phenanthrene finds utility is in supramolecular chemistry. The compound's ability to form non-covalent interactions with other molecules allows it to serve as a component in self-assembling systems. These systems have applications in nanotechnology and smart materials development.

The future directions of research on 1,2,8 Trimethyl phenanthrene CAS No 20291 75 2 are multifaceted. Efforts are ongoing to optimize synthetic routes for higher yields and purity while exploring new functionalization strategies. Additionally, collaborations between academia and industry will be essential in translating laboratory findings into practical applications.

In conclusion, 1, 2, 8- Trimethyl- phenanthrene (CAS No. 20291- 75- 2) represents a fascinating compound with diverse applications spanning from materials science to pharmaceuticals.
Its unique structural features offer opportunities for innovation across multiple disciplines.
As research continues, we can expect further insights into its potential uses
that will shape future developments
both academically
and commercially.

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