88563-47-7

Basic information

• Product Name: Benzenemethanol, 4-methoxy-a-methyl-, 3,5-dinitrobenzoate
• CAS NO: 88563-47-7
• Molecular Formula: C16H14N2O7
• Molecular Weight: 346.296
• Mol File: 88563-47-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzenemethanol, 4-methoxy-a-methyl-, 3,5-dinitrobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanol, 4-methoxy-a-methyl-, 3,5-dinitrobenzoate(88563-47-7)
• EPA Substance Registry System: Benzenemethanol, 4-methoxy-a-methyl-, 3,5-dinitrobenzoate(88563-47-7)

Safety Data

• Hazardous Substances Data: 88563-47-7(Hazardous Substances Data)

Upstream product

• 3319-15-1 rac-1-(4-methoxyphenyl)-ethanol 
• 99-33-2 3,5-dinitrobenoyl chloride 

Downstream Products

• 3319-15-1 rac-1-(4-methoxyphenyl)-ethanol 
• 94670-31-2 1-(4-methoxyphenyl)ethyl trifluoroethyl ether 
• 77525-91-8 1-methoxy-4-(1-methoxy-ethyl)-benzene 
• 82638-98-0 Trifluoro-acetic acid 1-(4-methoxy-phenyl)-ethyl ester 
• 91633-30-6 1-(1-azidoethyl)-4-methoxybenzene 
• 15573-49-6 3,5-dinitrobenzoate^(1-) 
• 73104-88-8 1-(p-methoxyphenyl)ethyl acetate 

Relevant articles and documents

Molecular recognition of chiral diporphyrin receptor with a macrocyclic cavity for intercalation of aromatic compounds

Chiral diporphyrin receptor 1, which has a macrocyclic cavity for the intercalation of aromatic guest molecules, was designed and synthesized from pyrrole in five steps. The binding constants (Ka) revealed the greater affinity of 1 for more electron-deficient aromatic guests. The complexation between 1 and 1,3,5-trinitrobenzene (G8) (Ka = 1850M-1) was much stronger than that between porphyrin monomer 3 and G8 (Ka = 50M-1). This result strongly suggests that G8 was intercalated into the cavity of 1 via cooperative double π-π stacking. Interestingly, 1 enabled the naked-eye detection of an aromatic explosive G8; a dark-red solution of 1 in CHCl3 turned into a colloidal suspension upon addition of G8, and the light was scattered. Fluorescence spectroscopy was also useful for the selective detection of G8; fluorescence of 1 was quenched by complexation with G8, which was visible with the naked eye. Despite modest binding constants for dinitrobenzene derivatives, 1 showed a good ability to discriminate the enantiomers of twelve chiral compounds bearing a dinitrophenyl group by NMR spectroscopy. The MM calculations with the MM3 force field reproduced inclusion complexes between 1 and nitroaromatic compounds. The mechanism of chiral discrimination is proposed.