299913-74-9

Basic information

• Product Name: [3-(bromomethyl)phenyl][3-(bromomethyl)-4-methoxyphenyl]ketone
• Synonyms: [3-(bromomethyl)phenyl][3-(bromomethyl)-4-methoxyphenyl]ketone
• CAS NO: 299913-74-9
• Molecular Weight: 398.094
• Mol File: 299913-74-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [3-(bromomethyl)phenyl][3-(bromomethyl)-4-methoxyphenyl]ketone(CAS DataBase Reference)
• NIST Chemistry Reference: [3-(bromomethyl)phenyl][3-(bromomethyl)-4-methoxyphenyl]ketone(299913-74-9)
• EPA Substance Registry System: [3-(bromomethyl)phenyl][3-(bromomethyl)-4-methoxyphenyl]ketone(299913-74-9)

Safety Data

• Hazardous Substances Data: 299913-74-9(Hazardous Substances Data)

Upstream product

• 41295-28-7 3,3'-dimethyl-4-methoxy-benzophenone 
• 1711-06-4 3-Methylbenzoyl chloride 
• 578-58-5 2-methylmethoxybenzene 

Relevant articles and documents

Heterocalixarenes. Part 4 - Synthesis of oxocalix[1]heterocycle[2]-arenes: A unique H-bonding network in calix[1]benzimidazol-2-one[2]arene·1/2 H2O

The Friedel-Crafts aroylation of 2-methylanisole with 3-methylbenzoyl chloride followed by NBS bromination and cyclizations with 1,3-dihydrobenzimidazol-2-one, 1,3-dihydro-5,6-dinitrobenzimidazol-2-one, uracil, 6-methyluracil and quinazoline-2,4(1H, 3H)-dione provide respective oxocalix[1]heterocycle[2]arenes 5-9. The X-ray crystal structure (solid) and 1H NMR spectral (solution) studies show them to have by and large inwardly flattened partial cone conformations which vary in torsion angles between the rings. The calix[1]benzimidazol-2-one[2]arene·1/2 H2O complex shows a unique array of H-bonds in which three of the four CH and the imide oxygen of the benzimidazol-2-one unit, carbonyl oxygen and water molecule are involved in H-bonding with surrounding calixarene molecules. This heterocalixarene, in contrast to earlier reported benzimidazol-2-one-based calixarenes, does not show hetero-cyclic π-π stacking. The Friedel-Crafts aroylation of 2-methylanisole with 3-methylbenzoyl chloride followed by NBS bromination and cyclizations with 1,3-dihydrobenzimidazol-2-one, 1,3-dihydro-5,6-dinitrobenzimidazol-2-one, uracil, 6-methyluracil and quinazoline-2,4(1H, 3H)-dione provide respective oxocalix[1]heterocycle[2]arenes 5-9. The X-ray crystal structure (solid) and 1H NMR spectral (solution) studies show them to have by and large inwardly flattened partial cone conformations which vary in torsion angles between the rings. The calix[1]benzimidazol-2-one[2]arene·1/2 H2O complex shows a unique array of H-bonds in which three of the four CH and the imide oxygen of the benzimidazol-2-one unit, carbonyl oxygen and water molecule are involved in H-bonding with surrounding calixarene molecules. This heterocalixarene, in contrast to earlier reported benzimidazol-2-one-based calixarenes, does not show hetero-cyclic π-π stacking.