177281-34-4

Basic information

• Product Name: 2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT&
• Synonyms: 2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT&
• CAS NO: 177281-34-4
• Molecular Formula: C₂₆H₄₀N₂O₂
• Molecular Weight: 412.614
• Product Categories: Nitrile;Organic Electronics and Photonics;Polyphenylenevinylene (PPV, CN-PPV) Monomers;Synthetic Tools and Reagents
• Mol File: 177281-34-4.mol

Chemical Properties

• Melting Point: 96.5-101.2 °C(lit.)
• Boiling Point: 554.6 °C at 760 mmHg
• Flash Point: 185.5 °C
• Appearance: white to light yellow crystal powder
• Density: 0.98 g/cm³
• CAS DataBase Reference: 2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT&(CAS DataBase Reference)
• NIST Chemistry Reference: 2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT&(177281-34-4)
• EPA Substance Registry System: 2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT&(177281-34-4)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37
• WGK Germany: 3
• Hazardous Substances Data: 177281-34-4(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powde

Upstream product

• 773837-37-9 sodium cyanide 
• 174230-68-3 2,5-bis(chloromethyl)-1,4-bis(octyloxy)benzene 
• 151-50-8 potassium cyanide 
• 147274-72-4 1,4-bis(bromomethyl)-2,5-bis(octyloxy)benzene 

Relevant articles and documents

Donor conjugated polymers-based on alkyl chain substituted oligobenzo[c]thiophene derivatives with well-balanced energy levels for bulk heterojunction solar cells

We designed and synthesized two donor conjugated polymers (poly(2Z,2′Z)-2,2′-(2,5-bis(octyloxy)-1,4-phenylene) bis(3-(5-(3-(3-hexylthiophen-2-yl)benzo[c] thiophen-1-yl)thiophen-2-yl) acrylonitrile (CN-PHTBTPB) and poly(2Z,2′Z)-2,2′-(2,5-bis(octyloxy)- 1,4-phenylene)bis(3-(5-(3-(3-octylthiophen-2-yl)benzo[c]thiophen-1-yl) thiophen-2-yl)acrylonitrile (CN-POTBTPB)), comprised of hexyl and octyl chains substituted at the 3-position of 1,3-di(thiophene-2-yl)benzo[c]thiophene moieties as a donor unit coupled with a 1,4-bis-(cyano-2-thienylvinylene) phenylene based precursor by means of Knoevenagel polycondensation followed by a chemical oxidative polymerization method. Both the synthesized polymers (CN-PHTBTPB and CN-POTBTPB) exhibited reduced optical band gaps of about 1.86 eV. The resulting polymers were experimentally found to possess deep HOMO (about -5.50 to 5.78 eV) and high-lying LUMO (about -3.78 to 3.82 eV) energy levels. Theoretical calculations revealed that the variation in the HOMO and LUMO energy levels are consistent with cyclic voltammetry measurements. Using these polymers, the bulk heterojunction photovoltaic devices with the structure of ITO/PEDOT:PSS/Synthesized donor polymer:PCBM/LiF/Al was fabricated in open air. The device based on the CN-PHTBTPB and CN-POTBTPB polymers delivered respectively power conversion efficiencies of 1.65% and 1.98% under the illumination of AM 1.5G, 100 mW cm-2, which indicates that this kind of conjugated polymer is a highly promising material for organic solar cell application. The clear correlation between the blend film morphology and the power conversion efficiency of the devices was observed via atomic force microscopic studies. The Royal Society of Chemistry 2013.

Ruthenium-catalyzed knoevenagel condensation: A new route toward cyano-substituted poly(p-phenylenevinylene)s

The ruthenium-catalyzed Knoevenagel reaction was developed for the preparation of cyano-substituted conjugated polymers. The polymerization was quenched by pouring the reaction mixture into methanol. The structures of polymers were confirmed by spectroscopic studies and elemental analysis. The results show that Knoevenagel polycondensation mediated by transition metal complexes enjoys the advantages of neutral and mild reaction conditions.