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4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE, with the chemical formula C15H10O, is a pale yellow liquid that exhibits unique aromatic properties. It is insoluble in water but readily soluble in organic solvents. This chemical compound is known for its versatility in organic synthesis, making it a valuable building block for the creation of various organic compounds.

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  • 57341-98-7 Structure
  • Basic information

    1. Product Name: 4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE
    2. Synonyms: 4-PHENYLETHYNYL-BENZALDEHYDE;4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE;BUTTPARK 46\04-33;4-(2-phenylethynyl)benzaldehyde;4-Phenylethynyl-benzaldehyd;Benzaldehyde, 4-(2-phenylethynyl)-;Product English Name: 4-(Phenylethynyl)benzaldehyde
    3. CAS NO:57341-98-7
    4. Molecular Formula: C15H10O
    5. Molecular Weight: 206.24
    6. EINECS: N/A
    7. Product Categories: Aldehydes;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het
    8. Mol File: 57341-98-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 364.2 °C at 760 mmHg
    3. Flash Point: 159.8 °C
    4. Appearance: /
    5. Density: 1.14g/cm3
    6. Vapor Pressure: 1.71E-05mmHg at 25°C
    7. Refractive Index: 1.626
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE(57341-98-7)
    12. EPA Substance Registry System: 4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE(57341-98-7)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 57341-98-7(Hazardous Substances Data)

57341-98-7 Usage

Uses

Used in Pharmaceutical Industry:
4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE is used as a key intermediate in the synthesis of pharmaceuticals for its potential to contribute to the development of new drugs. Its aromatic structure and aldehyde group facilitate the creation of a wide range of medicinal compounds.
Used in Agrochemical Industry:
In the agrochemical sector, 4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE is utilized as a starting material for the production of various agrochemicals, including pesticides and herbicides, due to its ability to form stable and effective compounds.
Used in Materials Science:
4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE is employed as a component in the development of new materials, leveraging its aromatic properties to enhance the performance characteristics of these materials.
Used in Organic Electronics:
This chemical compound is used in the fabrication of organic electronic devices, such as organic light-emitting diodes (OLEDs) and organic photovoltaics, due to its electronic properties and compatibility with other organic materials.
Used in Fragrance and Flavor Industry:
4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE is used as an intermediate in the production of fragrances and flavors, capitalizing on its aromatic nature to create unique scents and tastes.
Overall, 4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE's unique and versatile properties make it a valuable asset across multiple industries, from pharmaceuticals and agrochemicals to materials science and organic electronics.

Check Digit Verification of cas no

The CAS Registry Mumber 57341-98-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,7,3,4 and 1 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 57341-98:
(7*5)+(6*7)+(5*3)+(4*4)+(3*1)+(2*9)+(1*8)=137
137 % 10 = 7
So 57341-98-7 is a valid CAS Registry Number.
InChI:InChI=1/C15H10O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H

57341-98-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(2-phenylethynyl)benzaldehyde

1.2 Other means of identification

Product number -
Other names 4-(2-phenylethynyl)-benzaldehyde

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:57341-98-7 SDS

57341-98-7Relevant articles and documents

HBC-porphyrin-close contact chromophores

Englert, Jan M.,Malig, Jenny,Zamolo, Valeria Anna,Hirsch, Andreas,Jux, Norbert

, p. 4827 - 4829 (2013)

A photo/redoxactive hexa-peri-hexabenzocoronene-porphyrin conjugate with a direct connection between the two chromophores was synthesised using a formylated hexaphenylbenzene precursor.

Syntheses, structures and efficient catalysis for C-C coupling of some benzaldehyde thiosemicarbazone complexes of palladium

Paul, Piyali,Datta, Sayanti,Halder, Sarmistha,Acharyya, Rama,Basuli, Falguni,Butcher, Ray J.,Peng, Shie-Ming,Lee, Gene-Hsiang,Castineiras, Alfonso,Drew, Michael G.B.,Bhattacharya, Samaresh

, p. 62 - 73 (2011)

Reaction of the 4-R-benzaldehyde thiosemicarbazones (denoted in general as L-R; R = OCH3, CH3, H, Cl and NO2) with trans-[Pd(PPh3)2Cl2] afforded a group of mixed-ligand complexes (denoted i

Synthesis of new styrylquinoline cellular dyes, fluorescent properties, cellular localization and cytotoxic behavior

Rams-Baron, Marzena,Dulski, Mateusz,Mrozek-Wilczkiewicz, Anna,Korzec, Mateusz,Cieslik, Wioleta,Spaczyńska, Ewelina,Bartczak, Piotr,Ratuszna, Alicja,Polanski, Jaroslaw,Musiol, Robert

, (2015)

New styrylquinoline derivatives with their photophysical constants are described. The synthesis was achieved via Sonogashira coupling using the newly developed heterogeneous nano-Pd/Cu catalyst system, which provides an efficient synthesis of high purity

Synthesis of fluorescent molecular switches based on porphyrinoids covalently linked with redox active ligands

Chauhan, Shive M. S.,Mishra, Gaurav Kumar,Nisa, Kharu,Thirumal, M.

, (2022)

5,15-bis(1-hydoxy-2,6-di-tert-butyl-phenyl)10,20-bis-(pentaphenyl-phenyl)phenyl porphyrin and its Nickel complex were synthesized. Oxidation with NOBF4 gave 5,15bis(1-oxo-2,6-ditertairy-butyl-phenyl)10,20-bis(pentaphenyl-phenyl)phenyl-porphodimethene and Ni bis(1-oxo-2,6-ditertairy-butyl-phenyl)10,20-bis-(pentaphenylphenyl)phenyl porphodimethene. The porphyrin conjugates were characterized by NMR, mass, and UV–visible spectroscopy for structural elucidation. The density functional theory studies revealed a decrease in the highest occupied and the lowest unoccupied molecular orbital (HOMO-LUMO) energy gaps in the oxo-porphodimethenes. The photochromism and fluorescence characteristics were also studied. The porphyrin moieties were found to be desirable for the reversible light-driven fluorescent molecular switches.

A Reversible Rhodamine B Based pH Probe with Large Pseudo-Stokes Shift

Bao, Guochen,Wong, Ka-Leung,Tanner, Peter A.

, p. 816 - 820 (2019)

A reversible and sensitive pH probe DPE?Rh operates by F?rster resonance energy transfer from 1,2-diphenylethyne (DPE) to Rhodamine B (Rh). In the presence of H+, the spirolactam ring of the Rhodamine B unit was opened and this resulted in ca. 1000-fold enhancement of fluorescence intensity with linear change over the pH range of 2.0 to 5.5. The F?rster resonance energy transfer offered this probe an effective excitation–emission wavelength shift of around 240 nm with about 100 % quenching of the donor emission. The response of the sensor is tolerant towards a wide range of metal ions and the sensing mechanism was deduced by 1H NMR spectrometry. This FRET-based molecule not only provides a sensitive pH probe, but also suggests an effective strategy to eliminate the interference of excitation light.

Dissymmetrical U-shaped π-stacked supramolecular assemblies by using a dinuclear CuI clip with organophosphorus ligands and monotopic fully π-conjugated ligands

Moussa, Mehdi El Sayed,Guillois, Kevin,Shen, Wenting,Rau, Rgis,Crassous, Jeanne,Lescop, Christophe

, p. 14853 - 14867 (2014)

Reactions between the U-shaped binuclear CuI complex A that bears short metal-metal distances and the cyano-capped monotopic π-conjugated ligands 1-5 that carry gradually bulkier polyaromatic terminal fragments lead to the formation of π-stacked supramolecular assemblies 6-10, respectively, in yields of 50-80 %. These derivatives have been characterized by multinuclear NMR spectroscopic analysis and X-ray diffraction studies. Their solid-state structures show the selective formation of U-shaped supramolecular assemblies in which two monotopic π-conjugated systems present large (6, 7 , and 9) or medium (8 and 10) intramolecular π overlap, thus revealing π -π interactions. These assemblies self-organize into head-to-tail π-stacked dimers that in turn self-assemble to afford infinite columnar π stacks. The ature, extent, and complexity of the intermolecular contacts within the head-to-tail π-stacked dimer depend on the nature of the terminal polyaromatic fragment carried by the cyano-capped monotopic ligand, but it does not alter the result of the self-assembling process. These results demonstrate that the dinuclear molecular clip A that bears short metal-metal distances allows selective supramolecular assembly processes driven by the formation of intra- and intermolecular short π-π interactions in the resulting self-assembled structures; thus, demonstrating that their shape is not only dictated by the symmetry of the building blocks. This approach opens perspectives toward the formation of extended π-stacked columns based on dissymmetrical and functional π-conjugated systems.

ERRγ ligand HPB2 upregulates BDNF-TrkB and enhances dopaminergic neuronal phenotype

Kim, Hyo In,Lee, Seungbeom,Lim, Juhee,Chung, Sungkyun,Koo, Tae-Sung,Ji, Yu-Geun,Suh, Young-Ger,Son, Woo Sung,Kim, Seok-Ho,Choi, Hyun Jin

, (2021)

Brain derived neurotrophic factor (BDNF) promotes maturation of dopaminergic (DAergic) neurons in the midbrain and positively regulates their maintenance and outgrowth. Therefore, understanding the mechanisms regulating the BDNF signaling pathway in DAerg

Immobilizing Pd nanoparticles on the ternary hybrid system of graphene oxide, Fe3O4 nanoparticles, and PAMAM dendrimer as an efficient support for catalyzing sonogashira coupling reaction

Tarahomi, Mehrasa,Alinezhad, Heshmatollah,Maleki, Behrooz

, (2019)

An alternative approach to develop a Pd catalyst based on dendrimer-functionalized graphene oxide for C-C cross-coupling reactions is reported. Pd@MGO-D-NH2 has been synthesized by incipient wet impregnation method. The structure of the catalyst was thoroughly characterized by a set of analytical techniques such as TEM, BET, SEM/EDS, FTIR, and elemental mapping analysis. Then, the catalytic activity of the catalyst was scrutinized for promoting sonogashira C-C coupling reaction. The results manifested that Pd@MGO-D-NH2 was able to catalyze the coupling reaction to obtain high coupling yields in short reaction time. The results of present work are hoped to aid the development of new class of heterogeneous catalysts as the high performance candidate for industrial applications.

Zeolitic imidazolate frameworks-67 (ZIF-67) supported PdCu nanoparticles for enhanced catalytic activity in Sonogashira-Hagihara and nitro group reduction under mild conditions

Gholinejad, Mohammad,Naghshbandi, Zhwan,Sansano, Jose M.

, (2022/01/11)

A bimetallic PdCu supported on amine functionalized ZIF-67 is shown to be efficient catalyst in Sonogashira-Hagihara coupling reaction of aryl iodides at room temperature and aryl bromides at 40 oC. In addition, the catalyst is used in the reduction of 4-

Pd supported on clicked cellulose-modified magnetite-graphene oxide nanocomposite for C-C coupling reactions in deep eutectic solvent

Karimi, Sabah,Masteri-Farahani, Majid,Niakan, Mahsa,Shekaari, Hemayat

, (2020/10/02)

Cellulose-modified magnetite-graphene oxide nanocomposite was prepared via click reaction and utilized for immobilization of palladium (Pd) nanoparticles without using additional reducing agent. The abundant OH groups of cellulose provided the uniform dispersion and high stability of Pd nanoparticles, while magnetite-graphene oxide as a supporting material offered high specific surface area and easy magnetic separation. The as-prepared nanocomposite served as a heterogeneous catalyst for the Heck and Sonogashira coupling reactions in various hydrophilic and hydrophobic deep eutectic solvents (DESs) as sustainable and environmentally benign reaction media. Among the fifteen DESs evaluated for coupling reactions, the hydrophilic DES composed of dimethyl ammonium chloride and glycerol exhibited the best results. Due to the low miscibility of catalyst and DES in organic solvents, the separated aqueous phase containing both of the catalyst and DES can be readily recovered by evaporating water and retrieved eight times with negligible loss of catalytic performance.

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