7499-60-7

Basic information

• Product Name: 4-OXO-4-PYREN-1-YL-BUTYRIC ACID
• Synonyms: 4-OXO-4-PYREN-1-YL-BUTYRIC ACID;GAMMA-OXO-1-PYRENEBUTYRIC ACID;LABOTEST-BB LT00112354;gamma-oxopyrene-1-butyric acid;GAMMA-OXO-1-PYRENEBUTYRIC ACID, TECH.;γ-oxo-1-pyrenebutyric acid;γ-Oxopyrene-1-butanoic acid;γ-Oxopyrene-1-butyric acid
• CAS NO: 7499-60-7
• Molecular Formula: C₂₀H₁₄O₃
• Molecular Weight: 302.32
• EINECS: 231-354-6
• Product Categories: C13 to C42+;Carbonyl Compounds;Carboxylic Acids
• Mol File: 7499-60-7.mol
• Article Data: 6

Chemical Properties

• Melting Point: 184 °C (dec.)(lit.)
• Boiling Point: 383.36°C (rough estimate)
• Flash Point: 315.1 °C
• Appearance: /
• Density: 1.2559 (rough estimate)
• Vapor Pressure: 5.04E-14mmHg at 25°C
• Refractive Index: 1.4618 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4-OXO-4-PYREN-1-YL-BUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-OXO-4-PYREN-1-YL-BUTYRIC ACID(7499-60-7)
• EPA Substance Registry System: 4-OXO-4-PYREN-1-YL-BUTYRIC ACID(7499-60-7)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 7499-60-7(Hazardous Substances Data)

Usage

General Description

4-OXO-4-PYREN-1-YL-BUTYRIC ACID is a chemical compound with the molecular formula C23H16O3. It is a derivative of pyren, a polycyclic aromatic hydrocarbon, and butyric acid, a carboxylic acid. The compound is commonly used in research and chemical synthesis. It has been studied for its potential applications in fluorescent and luminescent materials, as well as in the development of novel organic compounds. Additionally, 4-OXO-4-PYREN-1-YL-BUTYRIC ACID may have potential use in pharmaceuticals and agrochemicals due to its unique structure and properties. Overall, this compound represents an important area of study in the field of organic chemistry and materials science.

InChI:InChI=1/C20H14O3/c21-17(10-11-18(22)23)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)20(14)19(12)13/h1-9H,10-11H2,(H,22,23)

Upstream product

• 108-30-5 succinic acid anhydride 
• 129-00-0 pyrene 
• 94550-83-1 3-β-Cyanoaethyl-pyrenyl-keton 
• 7446-70-0 aluminium trichloride 
• 98-95-3 nitrobenzene 
• 94375-46-9 1-(3-chloropropionyl)pyrene 
• 35281-11-9 methyl 4-oxo-4-(pyren-1-yl)butanoate 

Downstream Products

• 129-00-0 pyrene 
• 3443-45-6 1-pyrenebutyric acid 
• 24684-92-2 5-(pyren-1-yl)oxolan-2-one 
• 3331-46-2 9,10-dihydrobenzo[a]pyren-(8H)-none 
• 1523403-86-2 3-(bis(4-methoxyphenyl)(phenyl)methoxy)-2-(4-oxo-4-(pyren-1-yl)butanamido)propyl 2-cyanoethyl diisopropylphosphoramidite 
• 1523403-84-0 N-(3-(bis(4-methoxyphenyl)(phenyl)methoxy)-1-hydroxypropan-2-yl)-4-oxo-4-(pyren-1-yl)butanamide 
• 67000-89-9 4-pyrenylbutanol 

Relevant articles and documents

Preparation method of 1-pyrene butyric acid

The invention provides a preparation method of 1-pyrene butyric acid, which comprises the following steps: step S1, pyrene and a chloroformyl butyrate compound are subjected to F-C acylation reaction to obtain an intermediate 4-oxo-4-pyrene butyrate; step S2, the intermediate 4-oxo-4-pyrene butyrate and hydrazine hydrate are subjected to Huang Min-long reduction and ester hydrolysis reaction, so as to obtain the 1-pyrene butyric acid. According to the preparation method of the 1-pyrene butyric acid provided by the embodiment of the invention, the chloroformyl butyrate compound is used for replacing succinic anhydride in the prior art for F-C acylation to generate the intermediate 4-oxo-4-pyrene butyrate, and the intermediate 4-oxo-4-pyrene butyrate can be purified by recrystallization of ethanol or methanol, the tedious operation of repeatedly washing with acid and alkali for many times in the process of carrying out F-C acylation reaction by using succinic anhydride is avoided, and the purification difficulty of the product is greatly reduced.

Chromophore quench-Labeling: An approach to quantifying catalyst speciation as demonstrated for (EBI)ZrMe2/ b(C6F5)3?Catalyzed polymerization of 1?Hexene

Chromophore-containing quench agents 2 and 3 enable quantitative active site counting and determination of the mass distribution of active catalyst polymeryls by refractive index (RI) and UV detected gel permeation chromatography (GPC) for the polymerization of 1-hexene catalyzed by (EBI)ZrMe2/B(C6F5)3. Time evolution of catalyst speciation data and the time profiles of monomer consumption, end-group generation, and bulk molecular weight distribution data have been analyzed by kinetic modeling to determine rate constants for initiation by insertion of hexene into a Zr?Me bond (ki), propagation (kp), chain transfer to form vinylidene (k1,2) and vinylene (k2,1) end groups, and reinitiation from a Zr?H bond (kr). Unlike previous models that assumed fast catalyst reinitiation, this analysis reveals that kr is considerably slower than kp; catalyst speciation data are critical to making this distinction. This study demonstrates that chromophore quench-labeling with 2 and 3 enables rapid, quantitative analysis of detailed kinetic models for catalytic olefin polymerization reactions using GPC with UV and RI detectors.

Pyrene derived functionalized low molecular weight organic gelators and gels

Pyrene derived binary functionalized low molecular weight organic gelators (FLMOGs) and gels thereof in selected organic solvents were synthesized and characterized. The functionality refers to a functional group that does not take part in formation of the supramolecular gel network, but remains free and available for other purposes, such as to bind nanoparticles or other molecules into the gel structure. Functional groups were observed to disturb gel formation strongly, if they interact with each other within the same supramolecule due to the formation of competitive structures. Preventing such interactions restored the original gel properties. A gel with weaker supramolecular bonding than the binding between the functional groups was successfully made by separating the functional groups by distance. The π-π-interaction was found to be of negligible significance to the supramolecular binding energy, but probably essential to align the molecules to a one-dimensional chain and bring them into the range of van der Waals forces mainly responsible for the binding in this system. Solvent was observed to increase the binding energy of the supramolecule. All molecules were characterized by spectroscopic techniques and elemental analysis. Selected gels were characterized with rheometry, scanning electron microscopy, UV- and fluorescence spectroscopy. Gelation kinetics and hysteresis were measured by UV-spectroscopy and a fast gelation process was observed for all the gelators studied. The melting enthalpies were measured by DSC and calculated theoretically by PM3 level of theory. The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.