1252055-05-2

Basic information

• Product Name: 1,4-bis(4-formylphenyl)anthraquinone
• Synonyms: 1,4-bis(4-formylphenyl)anthraquinone
• CAS NO: 1252055-05-2
• Molecular Weight: 416.433
• Mol File: 1252055-05-2.mol

Chemical Properties

• CAS DataBase Reference: 1,4-bis(4-formylphenyl)anthraquinone(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4-bis(4-formylphenyl)anthraquinone(1252055-05-2)
• EPA Substance Registry System: 1,4-bis(4-formylphenyl)anthraquinone(1252055-05-2)

Safety Data

• Hazardous Substances Data: 1252055-05-2(Hazardous Substances Data)

Upstream product

• 602-25-5 1,4-dichloroanthraquinone 
• 87199-17-5 4-formylphenylboronic acid, 

Relevant articles and documents

Vibrational spectra, molecular structure, NBO, HOMO-LUMO and first order hyperpoalarizability analysis of 1,4-bis(4-formylphenyl)anthraquinone by density functional theory

Anthraquinone derivatives are most important class of a system that absorb in the visible region. Infrared and Raman spectroscopic analyses were carried out on 1,4-bis(4-formylphenyl)anthraquinone. The interpretation of the spectra was aided by DFT calculations of the molecule. The vibrational wavenumbers were examined theoretically using the Gaussian09 set of quantum chemistry codes, and the normal modes were assigned by potential energy distribution (PED) calculations. A computation of the first hyperpolarizability of the compound indicates that this class of substituted anthraquinones may be a good candidate as a NLO material. Optimized geometrical parameters of the compound are in agreement with similar reported structures. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis.

Arylation of chloroanthraquinones by surprisingly facile Suzuki-Miyaura cross-coupling reactions

Chloroanthraquinones were found to undergo facile Suzuki-cross coupling with substituted phenyl boronic acids using a commercial catalyst Pd(PPh 3)4 and with Pd(PPh3)4 prepared in situ from Pd(PPh3)2Cl2 and PPh3.