29938-08-7

Basic information

• Product Name: Benzene, 1,4-dimethoxy-2-(phenylmethoxy)-
• CAS NO: 29938-08-7
• Molecular Formula: C15H16O3
• Molecular Weight: 244.29
• Mol File: 29938-08-7.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Benzene, 1,4-dimethoxy-2-(phenylmethoxy)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1,4-dimethoxy-2-(phenylmethoxy)-(29938-08-7)
• EPA Substance Registry System: Benzene, 1,4-dimethoxy-2-(phenylmethoxy)-(29938-08-7)

Safety Data

• Hazardous Substances Data: 29938-08-7(Hazardous Substances Data)

Upstream product

• 18113-18-3 2,5-dimethoxyphenol 
• 100-44-7 benzyl chloride 
• 100-39-0 benzyl bromide 

Downstream Products

• 3044-60-8 5-hydroxy-2',4',5'-trimethoxy-2,2-dimethylpyrano<6,5-h>isoflavone 
• 3044-53-9 2',4',5,5'-tetramethoxy-2,2-dimethylpyrano<6,5-h>isoflavone 
• 117155-37-0 4'-benzyloxy-5-hydroxy-2',5'-dimethoxy-2,2-dimethyldihydropyrano<6,5-h>isoflavone 
• 117155-32-5 4-benzyloxy-6'-hydroxy-2,2',5-trimethoxy-2,2-dimethyldihydropyrano<5,6-c>chalcone 
• 117155-38-1 4',5-diacetoxy-2',5'-dimethoxy-2,2-dimethylpyrano<6,5-h>isoflavone 
• 117155-33-6 6'-acetoxy-4-benzyloxy-2,2',5-trimethoxy-2,2-dimethyldihydropyrano<5,6-c>chalcone 
• 117155-31-4 4,5'-bis(benzyloxy)-2',5'-dimethoxy-2,2-dimethyldihydropyrano<5,6-g>flavanone 
• 90486-63-8 4',5-dihydroxy-2',5'-dimethoxy-2,2-dimethylpyrano<6,5-h>isoflavone 
• 90486-62-7 4',5-dihydroxy-2',5'-dimethoxy-2,2-dimethyldihydropyrano<6,5-h>isoflavone 
• 90509-73-2 2',4-bis(benzyloxy)-6'-hydroxy-2,5-dimethoxy-2,2-dimethyldihydropyrano<5,6-c>chalcone 
• 90486-60-5 4,6'-bis(benzyloxy)-2'-hydroxy-2,5-dimethoxy-2,2-dimethyldihydropyrano<5,6-c>chalcone 
• 90486-66-1 6'-acetoxy-2',4-bis(benzyloxy)-2,5-dimethoxy-2,2-dimethyldihydropyrano<5,6-c>chalcone 
• 90509-72-1 2'-acetoxy-4,6'-bis(benzyloxy)-2,5-dimethoxy-2,2-dimethyldihydropyrano<5,6-c>chalcone 
• 90486-61-6 4',5-bis(benzyloxy)-2',5'-dimethoxy-2,2-dimethyldihydropyrano<6,5-h>isoflavone 

Relevant articles and documents

How to build fully π-conjugated architectures with thienylene and phenylene fragments

A series of small-sized model π-conjugated oligomers have been prepared from thienylene and phenylene or dimethyl-or dimethoxy-substituted phenylene units. Crystallographic data for the methoxylated compound show a quasi-planar conformation with a non-covalent S-O interaction. The resulting strong conjugation in the gas phase has also been highlighted by UV/photoelectron spectroscopy and theoretical calculations (DFT). Indeed, for these compounds there is a large energy gap ΔEπ arising from the interaction between the molecular orbitals of the isolated thienylene-phenylene species. This can be explained in terms of the energies of the two π orbitals of the dimethoxyphenylene unit, the shape of these molecular orbitals in a three-orbital interaction diagram and by the presence of the S...O interaction which reduces the inter-ring angle between the two aromatic cycles. The nature of the sulfur-oxygen interaction, discussed from a theoretical point of view, is mainly electrostatic, the orbital contribution from the only correctly directed orbitals nOσ and σ*S-C being slightly stabilising. These results show extensive conjugation of the π system corroborated by a small HOMO-LUMO gap. These studies, carried out in the solid state and in the gas phase, show how important it is to combine thienylene and dialkoxyphenylene fragments to obtain oligomers with a strong electronic delocalisation. Thus, these compounds are of interest in the fields of electronic and optoelectronic devices. Wiley-VCH Verlag GmbH & Co. KGaA, 2007.

Synthesis of pyranoisoflavones by the oxidative rearrangement of dihydropyranochalcones with thallium(III) nitrate: Synthesis of elongatin, its angular isomer, toxicarol isoflavone, and related compounds

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