24300-91-2

Basic information

• Product Name: 2,7-Di-tert-butylpyrene
• Synonyms: 2,7-Di-tert-butylpyrene;2,7-Di-tert-butylpyrene
• CAS NO: 24300-91-2
• Molecular Formula: C₂₄H₂₆
• Molecular Weight: 314.47
• Mol File: 24300-91-2.mol
• Article Data: 36

Chemical Properties

• Melting Point: 207.0 to 211.0 °C
• Boiling Point: 447.979 °C at 760 mmHg
• Flash Point: 222.394 °C
• Appearance: /
• Density: 1.064 g/cm³
• Vapor Pressure: 8.51E-08mmHg at 25°C
• Refractive Index: 1.661
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Toluene
• CAS DataBase Reference: 2,7-Di-tert-butylpyrene(CAS DataBase Reference)
• NIST Chemistry Reference: 2,7-Di-tert-butylpyrene(24300-91-2)
• EPA Substance Registry System: 2,7-Di-tert-butylpyrene(24300-91-2)

Safety Data

• Hazardous Substances Data: 24300-91-2(Hazardous Substances Data)

Usage

General Description

2,7-Di-tert-butylpyrene is a chemical compound with the molecular formula C26H28. It is a polycyclic aromatic hydrocarbon (PAH) that is commonly used as a reference standard for environmental monitoring and analysis. 2,7-Di-tert-butylpyrene has two tert-butyl groups attached to the 2 and 7 positions of the pyrene molecule, which enhances its stability and makes it less reactive. 2,7-Di-tert-butylpyrene is a persistent organic pollutant that is of concern due to its potential harmful effects on human health and the environment. It is typically found in air and water samples in urban and industrial areas, and exposure to this compound has been linked to adverse health effects, including cancer and respiratory problems. Therefore, monitoring and controlling the levels of 2,7-Di-tert-butylpyrene in the environment is important for protecting human and environmental health.

InChI:InChI=1/C24H26/c1-23(2,3)19-11-15-7-9-17-13-20(24(4,5)6)14-18-10-8-16(12-19)21(15)22(17)18/h7-14H,1-6H3

Upstream product

• 129-00-0 pyrene 
• 507-20-0 tertiary butyl chloride 
• 69080-03-1 2,7-di-tert-butyl-4,5,9,10-tetrahydropyrene 
• 76626-75-0 2,7-di-tert-butyl-trans-10b,10c-dimethyl-10b,10c-dihydropyrene 
• 76626-76-1 2,7-Di-tert-butyl-10b,10c-diethyl-10b,10c-dihydro-pyrene 
• 76626-77-2 2,7-Di-tert-butyl-10b,10c-dipropyl-10b,10c-dihydro-pyrene 
• 96929-88-3 anti-6,15-di-tert-butyl-9,18-dibromo-2,11-dithia<3.3>metacyclophane 2,2,11,11-tetroxide 
• 81688-16-6 8,16-dimethyl-5,13-di-tert-butyl<2.2>metacyclophan-1-ene 
• 75-65-0 tert-butyl alcohol 
• 76446-97-4 6,13-Di-tert-butyl-15,16-diethyl-2,9-bis-methylsulfanyl-tricyclo[9.3.1.1^4,8]hexadeca-1⁽¹⁵⁾,4,6,8⁽¹⁶⁾,11,13-hexaene 
• 76446-98-5 6,13-Di-tert-butyl-2,9-bis-methylsulfanyl-15,16-dipropyl-tricyclo[9.3.1.1^4,8]hexadeca-1⁽¹⁵⁾,4,6,8⁽¹⁶⁾,11,13-hexaene 
• 81688-84-8 C₃₀H₄₆S₂⁽²⁺⁾*2BF₄^(1-) 
• 81688-86-0 C₃₂H₅₀S₂⁽²⁺⁾*2BF₄^(1-) 
• 81688-88-2 C₃₄H₅₄S₂⁽²⁺⁾*2BF₄^(1-) 

Downstream Products

• 129-00-0 pyrene 
• 190843-93-7 2,7-di-tert-butyl-pyrene-4,5,9,10-tetraone 
• 737756-10-4 2,7-di-tert-butyl-9,10,11,12-tetrakis(4-tert-butylphenyl)-benzo[e]pyrene 
• 144597-04-6 N-<(4-Nitrophenyl)thio>-2,7-di-tert-butyl-1-aminopyrene 
• 1187761-22-3 (E,E)-2,7-di-tert-butyl-4,9-bis[2-(4-methoxyphenyl)ethenyl]pyrene 
• 1187761-27-8 (E,E)-2,7-di-tert-butyl-4,10-bis[2-(4-methoxyphenyl)ethenyl]pyrene 
• 704860-92-4 2,7-di-tert-butyl-4,5-dihydropyrene-4,5-dione 
• 1313506-58-9 2,7-di-tert-butyl-4-phenylpyrene 
• 1313506-67-0 2,7-di-tert-butyl-4,10-di-phenylpyrene 
• 1313506-61-4 2,7-di-tert-butyl-4,10-diphenylpyrene 
• 1313506-60-3 2,7-di-tert-butyl-4-(2,4,6-trimethylphenyl)pyrene 
• 1313506-70-5 2,7-di-tert-butyl-4,10-bis(2,4,6-trimethylphenyl)pyrene 
• 1313506-63-6 2,7-di-tert-butyl-4,9-bis(2,4,6-trimethylphenyl)pyrene 

Relevant articles and documents

Synthesis and characterization of 2,7-di(tertbutyl) pyreno[4,5-c:9,10- c′]difuran and derived pyrenophanes

(Chemical Equation Presented) Isobenzofurans (IBF)s have seen widespread use in the synthesis of both natural products and polycyclic aromatic hydrocarbons. There are few examples that have two IBF entities linked in a fused aromatic ring system. Here we present the synthesis and characterization of a bis(IBF), 2,7-di(tert-butyl)pyreno[4,5-c:9,10-c0]difuran.Reactionwith bis(maleimide) dienophiles gives pyrenophanes. The solidstate structures of the bis(IBF) and two cyclophanes are discussed. 2009 American Chemical Society.

HALOGENATION OF 2,7-DI-TERT-BUTYL-TRANS-10b,10c-DIALKYL-10b,10c-DIHYDROPYRENES

Treatment of 2,7-di-tert-butyl-trans-10b,10c-dialkyl-10b,10c-dihydropyrenes 5a-5c with bromine afforded the corresponding tetrabromides 7a-7c in good yields, respectively.The tetrachloro derivative of 5a was also obtained in 40percent yield by the treatment of 5a with SO2Cl2.The bromination of 5a-5c with bromine in the presence of Fe powder gave the dealkylated compound 2,7-di-tert-4,5,9,10-tetrabromopyrene 8 in good yields, respectively.When 5a-5c were treated with I2, 2,7-di-tert-butylpyrene 9 was obtained in good yields, in all cases.

4,5,9,10-Pyrene Diimides: A Family of Aromatic Diimides Exhibiting High Electron Mobility and Two-Photon Excited Emission

The design and synthesis of high-performance n-type organic semiconductors are important for the development of future organic optoelectronics. Facile synthetic routes to reach the K-region of pyrene and produce 4,5,9,10-pyrene diimide (PyDI) derivatives are reported. The PyDI derivatives exhibited efficient electron transport properties, with the highest electron mobility of up to 3.08 cm2 V?1 s?1. The tert-butyl-substituted compounds (t-PyDI) also showed good one- and two-photon excited fluorescence properties. The PyDI derivatives are a new family of aromatic diimides that may exhibit both high electron mobility and good light-emitting properties, thus making them excellent candidates for future optoelectronics.

A novel thiophene-fused polycyclic aromatic with a tetracene core: Synthesis, characterization, optical and electrochemical properties

FeCl3-mediated oxidative cyclization was successfully used to construct an extended thiophene-pendant pyrene skeleton and synthesize a novel thiophene-fused polycyclic aromatic (THTP-C) with a tetracene core. The identity of the compound was confirmed by 1H-NMR, 13C-NMR, MS, and elemental analysis. Meanwhile, a single crystal of THTP-C was obtained and analyzed by X-ray single-crystal diffraction. THTP-C has a "saddle" shaped π-conjugated 1-D supramolecular structure, and favors highly ordered self-assembly by π-π interactions as evidenced by its concentration- dependent 1H-NMR spectra in solution. The optical properties of THTP-C were investigated by ultraviolet-visible (UV-Vis) and photoluminescence (PL) spectroscopy and its electrochemical properties were investigated by cyclic voltammetry (CV). The relatively large band gap (2.86 eV), low EHOMO level (-5.64 eV) and intermolecular π-π interactions imply that THTP-C has a high stability against photo-degradation and oxidation, and may be a promising candidate for stable hole-transporting materials.

Blue-emitting pyrene-based aggregates

The supramolecular polymerization of pyrene imidazoles 1 and 2, governed by H-bonding and C-H···π interactions, yields aggregates showing the characteristic bluish emission pattern of pyrene-based monomers.

Relationship Between Molecular Structure, Single crystal Packing and Self-Assembly Behavior: A Case Based on Pyrene Imide Derivatives

Development of new n-type one-dimensional (1D) self-assembly nanostructure and a clear understanding of the relationship between molecular structure and self-assembly behavior are important prerequisites for further designing and optimizing organic optoelectronic nanodevice. In this article, a series of n-type organic semiconductor materials based on pyrene imide were successfully synthesized through [4+2] cycloaddition reactions and their preliminary optical and electrochemical properties were studied. The simulated HOMO-LUMO bandgaps via DFT tallied with the experimental data well. The self-assembly of these materials showed needle or fiber-like morphologies, indicating that different conjugation degree or alkyl group had significant influence on their self-assembly behaviors. Furthermore, the single-crystal packing for these molecules were analyzed and it was found out that the changes of conjugated backbone and functional group would affect certain crystal lattice parameter significantly, such as the intermolecular packing distance and crystal size etc, which would further result in different self-assembly morphology.