1241836-03-2

Basic information

• Product Name: 3,6-bis(5-(benzofuran-2-yl)thiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
• Synonyms: 3,6-bis(5-(benzofuran-2-yl)thiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
• CAS NO: 1241836-03-2
• Molecular Formula: C46H48N2O4S2
• Molecular Weight: 757.01432
• Mol File: 1241836-03-2.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3,6-bis(5-(benzofuran-2-yl)thiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 3,6-bis(5-(benzofuran-2-yl)thiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione(1241836-03-2)
• EPA Substance Registry System: 3,6-bis(5-(benzofuran-2-yl)thiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione(1241836-03-2)

Safety Data

• Hazardous Substances Data: 1241836-03-2(Hazardous Substances Data)

Usage

General Description

3,6-bis(5-(benzofuran-2-yl)thiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione is a complex organic compound with a pyrrolo[3,4-c]pyrrole core structure. It contains multiple benzofuran and thiophene groups, as well as two 2-ethylhexyl side chains. 3,6-bis(5-(benzofuran-2-yl)thiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione has potential applications in organic electronic devices, such as organic solar cells and organic field-effect transistors, due to its strong electron-donating and electron-accepting properties. Its unique structure and properties make it a promising candidate for further research and development in the field of organic electronics.

Upstream product

• 1003-31-2 thiophene-2-carbonitrile 
• 18908-66-2 3-bromomethylheptane 
• 1000623-95-9 3,6-bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione 
• 57083-15-5 trimethyl-(benzofuran-2-yl)stannane 
• 1185885-86-2 2,5-bis(2-ethylhexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4-dione 
• 402503-13-3 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]furan 

Relevant articles and documents

Solvatochromism in diketopyrrolopyrrole derivatives: Experimental and computational studies

A series of seven thiophen-substituted diketopyrrolopyrrole derivatives were synthesised and their solution absorption spectra characterised in a range of solvents of varying polarity. The absorption spectra of these diketopyrrolopyrrole derivatives exhibited significant negative solvatochromism. The behaviour is consistent with results of time-dependent density-functional theory calculations of excitation energies. Calculated electronic structures suggest that there is significant charge transfer between the electron-donating thiophen substituents and the diketopyrrolopyrrole core but that the magnitude of this charge shift is reduced in the excited state compared with the ground state. The resulting reduction in polarity of the excited state accounts for the negative solvatochromism observed. The implications of the results for the potential application of diketopyrrolopyrrole compounds as photovoltaic materials are considered.