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
• Article Data: 6

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

General Description

2-Methylpyrene is a polycyclic aromatic hydrocarbon (PAH) compound with a molecular formula of C17H12. It is a yellowish solid substance that is insoluble in water and soluble in organic solvents. 2-Methylpyrene is a byproduct of incomplete combustion of organic materials, such as fossil fuels, and is present in cigarette smoke, vehicle emissions, and industrial processes. It is considered a potential environmental and human health hazard due to its carcinogenic and mutagenic properties. Exposure to 2-Methylpyrene has been linked to respiratory and cardiovascular diseases, as well as reproductive and developmental effects. It is regulated as a priority pollutant by environmental agencies due to its toxicity and persistence in 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

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

Downstream Products

• 74869-48-0 2,3-Dimethyl-pyren 
• 81-30-1 1,4,5,8-naphthalenetetracarboxylic dianhydride 
• 103442-32-6 2-methyl-1,3,6,8-tetraphenyl-pyrene 
• 128-97-2 naphthalene-1,4,5,8-tetracarboxylic acid 
• 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.

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. 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).