3442-78-2

Basic information

• Product Name: 2-Methylpyrene
• Synonyms: 2-Methylpyrene
• CAS NO: 3442-78-2
• Molecular Formula: C₁₇H₁₂
• Molecular Weight: 0
• EINECS: 222-352-6
• Mol File: 3442-78-2.mol

Chemical Properties

• Boiling Point: 387.4°Cat760mmHg
• Flash Point: 178.9°C
• Appearance: /
• Density: 1.213g/cm³
• Vapor Pressure: 7.38E-06mmHg at 25°C
• Refractive Index: 1.815
• CAS DataBase Reference: 2-Methylpyrene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Methylpyrene(3442-78-2)
• EPA Substance Registry System: 2-Methylpyrene(3442-78-2)

Safety Data

• Hazardous Substances Data: 3442-78-2(Hazardous Substances Data)

Usage

Uses

2-Methylpyrene is used as a research compound for studying the environmental and health effects of PAHs. Its presence in various sources, such as cigarette smoke and vehicle emissions, makes it an important subject for research in understanding the impact of PAHs on human health and the environment.
Used in Environmental Monitoring and Analysis:
2-Methylpyrene is used as a marker for the presence of PAHs in environmental samples, such as air, water, and soil. Its detection and quantification in these samples help in assessing the level of pollution and potential health risks associated with exposure to PAHs.
Used in Toxicology and Risk Assessment:
2-Methylpyrene is used in toxicological studies to evaluate its potential carcinogenic and mutagenic effects on living organisms. This information is crucial for risk assessment and the development of regulations to limit exposure to PAHs in various industries and environments.
Used in Industrial Processes:
Although 2-Methylpyrene is a byproduct of incomplete combustion, it may have potential applications in industrial processes where PAHs are used or produced. Understanding the properties and effects of 2-Methylpyrene can help in optimizing processes to minimize its formation and release into the environment.

InChI:InChI=1/C17H12/c1-11-9-14-7-5-12-3-2-4-13-6-8-15(10-11)17(14)16(12)13/h2-10H,1H3

Upstream product

• 203-80-5 phenalene 
• 36325-38-9 5-methyl<2.2>metacyclophane 
• 1903-15-7 pyrene-2-carbonitrile 
• 7803-57-8 hydrazine hydrate 
• 36428-96-3 pyrene-1-carboxylic acid 
• 24471-48-5 2-hydroxymethylpyrene 
• 108835-10-5 6-tert-butyl-15-methyl-9-methoxy-2,11-dithia<3.3>metacyclophane S,S,S',S'-tetraoxide 
• 108835-15-0 5-tert-butyl-13-methyl-8-methoxy<2.2>metacyclophane 
• 108545-97-7 2-tert-butyl-7-methyl-4,5,9,10-tetrahydropyrene 
• 77180-48-4 (5-tert-butyl-2-methoxy-1,3-phenylene)dimethanethiol 
• 102251-75-2 2-methyl-4,5,9,10-tetrahydropyrene 
• 860700-32-9 2-methyl-2,3-dihydro-1H-phenalene 
• 957-37-9 2-chloromethyl-pyrene 
• 108835-05-8 6-tert-butyl-15-methyl-9-methoxy-2,11-dithia[3.3]metacyclophane 

Downstream Products

• 128-97-2 naphthalene-1,4,5,8-tetracarboxylic acid 
• 103442-32-6 2-methyl-1,3,6,8-tetraphenyl-pyrene 
• 81-30-1 1,4,5,8-naphthalenetetracarboxylic dianhydride 
• 74869-48-0 2,3-Dimethyl-pyren 
• 102543-11-3 (7-methyl-pyren-1-yl)-phenyl ketone 

Relevant articles and documents

Photoinduced charge separation at room temperature of N-alkylpyrenes in transition metal ion containing mesoporous SiMCM-41 and MeMCM-41 silica molecular sieves where Me = Ti(IV), V(V), Ni(II), Co(II) and Cu(II)

The photoinduced charge separation of N-alkylpyrenes in transition metal ion containing mesoporous SiMCM-41 and MeMCM-41 materials [Me = Ti(IV), V(V), Ni(II), Co(II) and Cu(II)] with ultraviolet irradiation at room temperature is investigated. N-alkylpyrene cation radicals (PyCn+) are generated in SiMCM-41 and MeMCM-41 mesoporous silica materials and are characterized by electron spin resonance (ESR) spectroscopy. Mesoporous SiMCM-41 and MeMCM-41 materials are shown to be effective heterogeneous hosts for the photoinduced formation and stabilization of PyCn+ cation radicals at room temperature indicating stable photoinduced charge separation for several hours. The long lifetimes for the cation radicals indicate the utility of the environment of these MCM-41 materials for controlling back electron transfer. A series of TiMCM-41 materials are synthesized that increase the PyCn+ photoionization efficiency in comparison with VMCM-41, NiMCM-41, CoMCM-41 and CuMCM-41. The photoyield efficiency is decreased significantly when the concentration of pyrene is increased above about 10-2 M. The photoionization efficiency depends on the type and concentration of the metal ions in the mesoporous MeMCM-41 materials which suggests that certain metal ions can act as electron acceptors. Also, as the N-alkylpyrene alkyl chain length increases from methyl to hexadecyl the photoionization yield decreases. The photoionization efficiency increases in the order TiMCM-41 > NiMCM-41 > VMCM-41 > SiMCM-41 > CoMCM-41 > CuMCM-41. The photoyield is higher by about 1.5 times at 77 K compared to room temperature. The observed photoyields of PyCn (n = 1, 4, 8, 12, or 16) in mesoporous MeMCM-41 materials suggest that these materials are useful models for long-term photoinduced charge separation at room temperature.

Characterization of the combustion products of polyethylene

Polyethylene (PE) was burned in a tube-type furnace with an air flow at a temperature of 600~900°C. Combustion products were collected with glass wool, glass fiber filter, and XAD-2 adsorbent. The analysis of the products was performed with GC-FID and GC-MSD. At low temperature, hydrocarbons were the major components, while at higher temperature the products were composed of polycyclic aromatic hydrocarbons. With the high performance of the Hewlett-Packard 6890GC-5973MSD, more compounds were identified in comparison with previous studies.

Synthesis of 1,2-Dimethylpyrene, 1,3-Dimethylpyrene and 1,2,3-Trimethylpyrene

The title compounds have been prepared, starting from 1H-phenalene 1.The method described in this paper is an efficient procedure for introducing methyl groups into the A-ring of pyrene.

Metacyclophanes and Related Compounds. 19. Reaction of 8-Methoxymetacyclophanes with Iodine in Benzene Solution. A Preparative Route of Pyrene

When 8-methoxymetacyclophanes are treated with iodine in boiling benzene, the corresponding tetrahydropyrenes (8) are obtained in good yield.The AlCl3-catalyzed trans-tert-butylation of 8 effected loss of the tert-butyl group to give 10a-c, which were easily dehydrogenated with DDQ to afford the corresponding pyrene derivatives.

Metacyclophanes and Related Compounds. Part 16. Preparation of 8-Fluoro-t-butylmetacyclophanes and their Treatment with Aluminium Chloride-Nitromethane in Benzene

The preparation of 8-fluoro-t-butylmetacyclophanes (5) are described.Dithiametacyclophane (3) and metacyclophane bis(sulphones) (4) were obtained as a mixture of transoid and cisoid conformers, but metacyclophanes (5) were exclusively obtained as the transoid conformer after pyrolysis of the sulphones (4).AlCl3-MeNO2-Catalyzed trans-t-butylation of 8-fluoro-16-methyl-5,13-di-t-butylmetacyclophane (5a) in benzene under a variety of conditions faild to give 8-fluoro-16-methylmetacyclophane (32) but, instead, the tetrahydropyrenes (33) and/or (34) were obtained depending upon the conditions used.Internally substituted metacyclophanes were isomerized to the strainless metacyclophanes and these were then oxidized to the tetrahydropyrene (33).

A Highly Selective Transannular Route to trans-trans-1,2,3,3a,4,5,9,10,10a,10b-Decahydropyrenes from Metacyclophanes

The treatment of metacyclophanes with aluminum chloride gave a variety of hydropyrenes as the results of dehydrogenation, cycloisomerization, and disproportionation reactions.With ethylaluminum dichloride, however, a highly selective reaction occured to give trans-trans-1,2,3,3a,4,5,9,10,10a,10b-decahydropyrene.Revised structures were presented for cis-cis- and trans-trans-decahydropyrenes based on 13C NMR and X-ray crystallographic analyses.