602-01-7Relevant articles and documents
A process for the preparation of nitrobenzene derivative
-
Paragraph 0049; 0050; 0051, (2016/10/10)
The invention provides a preparation method of nitrobenzene derivatives, which comprises the following steps: mixing aromatic amino-compound with sodium perborate, a titanic acid catalyst and glacial acetic acid, and reacting to obtain nitrobenzene derivatives, wherein the titanic acid catalyst is prepared by reacting isopropyl titanate and oxydol, and the aromatic amino-compound is a compound with an electrophilic substitution group in the ortho-position of the amino group. By using the sodium perborate as the oxidizer and the titanic acid catalyst as the cocatalyst, the reaction yield is up to 80-85%, and the product purity is up to 99% above.
Competition between electron-donor and electron-acceptor substituents in nitrotoluene isomers: A photoelectron spectroscopy and ab initio investigation
Rondino, Flaminia,Catone, Daniele,Mattioli, Giuseppe,Bonapasta, Aldo Amore,Bolognesi, Paola,Casavola, Anna Rita,Coreno, Marcello,O'Keeffe, Patrick,Avaldi, Lorenzo
, p. 5272 - 5282 (2014/01/23)
We present an investigation of the close relationship between chemical structure, physical properties and reactivity of the three nitrotoluene isomers: a joint experimental and theoretical study, based on X-ray photoelectron spectroscopy (XPS) measurements and ab initio calculations, addressing the complex interplay between the competing electron-donor and electron-acceptor effects of the nitro- and methyl-substituents on the chemical properties of the nitrotoluene isomers. As the main results of the investigation we: (i) point out that accurate ab initio calculations play a key role in the complete assignment of photoemission measurements, as well as in the estimate of proton affinities in the case of all the eligible sites; (ii) revisit, at a more quantitative level, textbook models based on inductive and resonant effects of different substituents of the aromatic ring, as well as on the hyper-conjugative connection of the methyl group to the π-conjugated system; (iii) provide an accurate analysis of correlation patterns between calculated proton affinities and core-ionization energies, which represent a powerful tool, capable of predicting site-specific reactivities of polysubstituted molecules in the case of electrophilic aromatic substitution reactions.
PRODUCTION OF ISOCYANATE USING CHLORINE RECYCLE
-
, (2008/06/13)
A process and a system produces isocyanate and converts anhydrous hydrogen chloride, which is a by-product of isocyanate production, to chlorine gas in an electrochemical cell. The chlorine is recycled to the isocyanate process. Any unreacted anhydrous hydrogen chloride may be recycled to the electrochemical cell. By recycling the anhydrous hydrogen chloride and the chlorine, the process and system are able to reduce the cost of producing isocyanate. In addition, this process and system process eliminate or at least substantially minimize the problems associated with disposal of anhydrous hydrogen chloride by turning it into a useful starting material in the isocyanate process.