7376-03-6

Basic information

• Product Name: 1-Benzoylpyren
• Synonyms: 1-Benzoylpyren
• CAS NO: 7376-03-6
• Molecular Formula: C₂₃H₁₄O
• Molecular Weight: 306.35666
• EINECS: -0
• Mol File: 7376-03-6.mol
• Article Data: 19

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-Benzoylpyren(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Benzoylpyren(7376-03-6)
• EPA Substance Registry System: 1-Benzoylpyren(7376-03-6)

Safety Data

• Hazardous Substances Data: 7376-03-6(Hazardous Substances Data)

Usage

Description

1-Benzoylpyren, also known as 5-benzoyl-1,2-benzopyrone, is a polycyclic aromatic hydrocarbon (PAH) and a member of the pyrene class. It is a hazardous substance, recognized as a potential carcinogen and mutagen, commonly found in tobacco smoke and vehicle exhaust fumes. Exposure to 1-Benzoylpyren is associated with various health risks, such as cancer, respiratory issues, and reproductive problems. Due to its potential toxicity, it is crucial to minimize exposure to this compound.

Uses

1-Benzoylpyren is used as a research chemical for studying its properties and effects on human health and the environment. It is also used in the development of methods for detecting and monitoring its presence in various settings, such as air, water, and soil, to assess exposure risks and implement appropriate safety measures.
Used in Environmental Monitoring:
1-Benzoylpyren is used as a marker for assessing air quality and identifying sources of pollution, particularly in urban areas with high traffic density. Monitoring its levels can help in understanding the impact of vehicle emissions on air quality and human health.
Used in Toxicological Research:
1-Benzoylpyren is used as a model compound in toxicological studies to investigate the mechanisms of carcinogenesis and mutagenicity. This research aids in understanding the molecular pathways involved in the development of cancer and other health issues associated with exposure to PAHs.
Used in Public Health Policy and Regulation:
1-Benzoylpyren serves as a basis for developing public health policies and regulations aimed at reducing exposure to hazardous substances, including PAHs. By setting standards and guidelines for acceptable levels of exposure, authorities can protect public health and minimize the risks associated with 1-Benzoylpyren and similar compounds.

Upstream product

• 129-00-0 pyrene 
• 98-88-4 benzoyl chloride 
• 1334770-18-1 benzoic acid 2,3,5,6-tetrafluorophenyl ester 
• 23405-15-4 benzoic acid N-hydroxysuccinimide ester 
• 93-99-2 benzoic acid phenyl ester 
• 3029-19-4 pyrene-1-aldehyde 
• 17763-67-6 Phenyl triflate 
• 108-95-2 phenol 
• 135364-97-5 tert-butyl benzoyl(tert-butoxycarbonyl)carbamate 
• 164461-18-1 1-pyrenylboronic acid 
• 55-21-0 benzamide 
• 108-86-1 bromobenzene 
• 93-97-0 benzoic acid anhydride 
• 54811-16-4 1,6-dibenzoylpyrene 

Downstream Products

• 96969-74-3 1,2-diphenyl-1,2-di-pyren-1-yl-ethane 
• 42211-34-7 1-benzylpyrene 
• 95811-57-7 phenyl(pyren-1-yl)methanol 
• 40812-79-1 1-Thiobenzoyl-pyren 
• 855-25-4 Phenyl-pyrenyl-⁽³⁾-keton-hydrazon 
• 202974-48-9 hydroxy-diphenyl-(pyrenyl-⁽¹⁾)-methane 
• 128-70-1 pyranthrone 
• 54811-16-4 1,6-dibenzoylpyrene 
• 55009-76-2 1,8-dibenzoylpyrene 
• 855-26-5 Phenyl-pyrenyl-⁽³⁾-diazomethan 
• 111077-43-1 4-Methyl-benzoic acid phenyl-pyren-1-yl-methyl ester 
• 1311294-65-1 1,2,2-tripheny-1-pyrenylethene 

Relevant articles and documents

Spectral and self-assembly properties of a series of asymmetrical pyrene derivatives

A series of pyrene derivatives with different asymmetrical substituents were successfully synthesized and characterized. The geometrical electronic structures of the asymmetrical pyrene derivatives were performed by density functional theory (DFT) calcula

Chiroptical properties and the racemization of pyrene and tetrathiafulvalene-Substituted allene: Substitution and solvent effects on racemization in tetrathiafulvalenylallene

Dissymmetric 1,3-diphenylallene derivative 3 connected with 4,5-bis(methylthio) tetrathiafulvalenyl and 1-pyrenyl substituents was prepared and characterized. The molecular structure was determined by X-ray crystallographic analysis. Optical resolution wa

Dual-fixations of europium cations and TEMPO species on metal-organic frameworks for the aerobic oxidation of alcohols

The efficient and selective aerobic oxidation of alcohols has been investigated with judicious combinations of europium-incorporated and/or TEMPO ((2,2,6,6-tetramethylpiperidin-1-yl)oxyl)-functionalized zirconium-based porous metal-organic frameworks (MOFs). Although MOFs are well-known catalytic platforms for the aerobic oxidation with radical-functionalities and metal nanoparticles, these systematic approaches involving metal cations and/or radical species introduce numerous interesting aspects for cooperation between metals and TEMPO for the aerobic oxidation of alcohols. The role of TEMPO as the oxidant in the heterogeneous catalytic aerobic oxidation of alcohols was revealed through a series of comparisons between metal-anchored, TEMPO-anchored, and metal and TEMPO-anchored MOF catalysis. The fine tunability of the MOF allowed the homogeneously and doubly functionalized catalysts to undergo organic reactions in the heterogeneous media. In addition, the well-defined and carefully designed heterogeneous molecular catalysts displayed reusability along with better catalytic performance than the homogeneous systems using identical coordinating ligands. The role of metal-cation fixation should be carefully revised to control their coordination and maximize their catalytic activity. Lastly, the metal cation-fixed MOF displayed better substrate tolerance and reaction efficiencies than the TEMPO-anchored MOF or mixture MOF systems.

In quest of reversibility of Friedel-Crafts acyl rearrangements in the pyrene series

Friedel-Crafts acyl rearrangements in PPA of diacetylpyrenes (80–120 °C), dibenzoylpyrenes (80–200 °C), and bis(4-flurobenzoyl)pyrenes (80–120 °C) and Scholl reactions in AlCl3/NaCl of dibenzoylpyrenes (140–200 °C) have been studied. The substrates were 1-AcPY, 2-AcPY, 1,3-Ac2PY, 1,6-Ac2PY, 1,8-Ac2PY, 2,7-Ac2PY, 1-BzPY, 1,6-Bz2PY, 1,8-Bz2PY, 1-4FBzPY, 1,6-4FBz2PY, 1,8-4FBz2PY. The mixtures of pyrene, 1-AcPY, 2-AcPY, 1,3-Ac2PY, 1,6-Ac2PY, 1,8-Ac2PY, and 2,7-Ac2PY were separated by HPLC. The following reversible intermolecular isomerizations were established: 1,6-Ac2PY ? 1,8-Ac2PY, 1,6-Bz2PY ? 1,8-Bz2PY, and 1,6-4'FBz2PY ? 1,8-4'FBz2PY, albeit not in high yields. The results substantiate Gore’s 1955 proposition that “The Friedel–Crafts acylation reaction of reactive aromatic hydrocarbons is a reversible process.” The isomerizations reported here differ from the few previously reported completely reversible intramolecular Friedel-Crafts acyl rearrangements. At ≥ 140 °C, in PPA and in AlCl3/NaCl, 1,6-Bz2PY and 1,8-Bz2PY underwent a highly regioselective double Scholl reaction to give pyranthrone (3) and deacylations to 1-BzPy (and pyrene), followed by mono-Scholl reactions to give 8H-dibenzo[def,qr]chrysen-8-one (1), and 11H-indeno[2,1-a]pyren-11-one (2). The formation of 3 and not the expected tribenzo[a,ghi,o]perylene-7,16-dione (4) from 1,8-Bz2PY indicates that 1,8-Bz2PY has first undergone isomerization to 1,6-Bz2PY. The present study confirms the linkage between Friedel-Crafts acyl rearrangements and the Scholl reaction.