15254-35-0

Basic information

• Product Name: 1,8-dimethylpentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene (non-preferred name)
• Synonyms: 9,10-dimethyl-9,10-dihydro-9,10-[1,2]benzenoanthracene;9,10[1',2']-Benzenoanthracene, 9,10-dihydro-9,10-dimethyl-
• CAS NO: 15254-35-0
• Molecular Formula: C₂₂H₁₈
• Molecular Weight: 282.3783
• Mol File: 15254-35-0.mol
• Article Data: 1

Chemical Properties

• Melting Point: 329-330 °C
• Boiling Point: 375.6°C at 760 mmHg
• Flash Point: 176.1°C
• Density: 1.167g/cm³
• Vapor Pressure: 1.67E-05mmHg at 25°C
• Refractive Index: 1.669
• CAS DataBase Reference: 1,8-dimethylpentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene (non-preferred name)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,8-dimethylpentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene (non-preferred name)(15254-35-0)
• EPA Substance Registry System: 1,8-dimethylpentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene (non-preferred name)(15254-35-0)

Safety Data

• Hazardous Substances Data: 15254-35-0(Hazardous Substances Data)

Usage

Explanation

Different sources of media describe the Explanation of 15254-35-0 differently. You can refer to the following data:
1. The compound's name is derived from its structure, which includes multiple fused cyclohexane rings and two methyl groups.
2. The compound consists of 23 carbon atoms and 32 hydrogen atoms.
3. The compound has five interconnected cyclohexane rings, creating a complex and compact molecular arrangement.
4. The compound contains two methyl groups (CH3) attached to the cyclohexane rings.
5. The compound has a conjugated system of double bonds, which can participate in various chemical reactions.
6. Due to its complex structure and unique properties, the compound can be used as a research compound for further study and exploration in organic chemistry.
7. The compound's intricate structure and unusual name reflect the complexity and diversity of organic chemistry.
8. The provided material does not mention the stereochemistry (3D arrangement) of the compound, which could be important for its properties and reactivity.
9. The provided material does not mention the solubility of the compound in various solvents, which could be relevant for its applications and handling.
10. The provided material does not discuss the stability of the compound under different conditions, which could be important for its storage and use.

Structure

Pentacyclo with fused cyclohexane rings

Methyl Groups

Two

Conjugated System

Double bonds

Potential Applications

Research compound

Complexity

High

Stereochemistry

Not specified

Solubility

Not specified

Stability

Not specified

Upstream product

• 117341-16-9 2-<(2-Acetoxyethyl)sulfinyl>aniline 

Downstream Products

• 15254-38-3 2-Benzoyl-9,10-dimethyl-triptycen 

Relevant articles and documents

Formation of Benzoxathiete under Mild Conditions and Its Valence Tautomerism in Solution to Monothio-o-benzoquinone: An Experimental and Quantum Chemical Study

Aprotic diazotization of 2-aniline in dimethoxyethane affords products that include biphenylene and dibenzo-1,4-oxathiane.Detection of these products is consistent with the formation of benzoxathiete and the valence tautomerism to monothio-o-benzoquinone with concomitant formation of dehydrobenzene by a competing pathway.The latter was independently trapped with 1,3-diphenylisobenzofuran and with 9,10-dimethylanthracene.The requirement for SO group participation in the formation of benzoxathiete is established by comparison with the behavior of the analogous thioether and sulfone compounds.EPR and spin-trapping experiments confirm the intermediacy of both oxygen- and nitrogen-centered free radicals which is consistent with the homolytic pathways proposed for the diazotization process.Parallel aqueous diazotization of 2-aniline affords vinyl acetate, phenol, and halobenzene consistent with the generation of dehydrobenzene but not benzoxathiete under these conditions.Spin-trapping/EPR studies gave no evidence for free-radical components in the protic diazotization reaction.Ab initio calculations using the 3-21G* and 6-31G* basis sets within the Hartree-Fock approximation, as well as the MP2/3-21G* method, predict an energetically feasible tautomerism of benzoxathiete to monothio-o-benzoquinone.The 3-21G* calculations reveal the presence of a biradical intermediate for this reaction which, as a singlet, features an energy higher than the benzoxathiete by 33 kcal/mol, while as the corresponding triplet it proves to be lower in energy than the benzoxathiete by 2.5 kcal/mol.This process, however, might be symmetry forbidden.By contrast, the symmetry-allowed cycloreversion pathway of benzoxathiete to dehydrobenzene and SO is energetically much less favorable.