627-48-5

Upstream product

• 96-96-8 4-methoxy-2-nitroaniline 
• 625-57-0 O-ethyl thiocarbamate 

Downstream Products

• 4971-80-6 ethyl N-benzoylcarbamate 
• 424-36-2 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid ethyl ester 
• 90022-80-3 (CO)5WC(OC₂H₅)NC(C₆H₅)2 
• 626-36-8 ethyl allophanate 
• 2812-77-3 diethyl imidocarbonate 
• 14304-14-4 Kohlensaeure-phenylester-aethylester-imid 
• 628-83-1 n-butylthiocyanate 
• 13947-84-7 O-Aethyl-N-cyan-isoharnstoff 
• 5339-67-3 N-ethylbenzenesulfonamide 
• 1484-17-9 S-ethyl thiobenzoate 
• 6825-53-2 (ethoxy-amino-methylene)-malononitrile 
• 103-03-7 1-phenylsemicarbazide 
• 1118-12-3 1,1-dimethylethylurea 
• 698-90-8 N'-cyclohexylurea 

Relevant academic research and scientific papers

Midinfrared and quantum-chemical study of the structure, conformation, and isomerization of the unstable CH3CH2OCN molecule

Gaseous ethyl cyanate, CH3CH2OCN, has been generated from the gas/solid reaction of O-ethyl thiocarbamate with mercury oxide and characterized in the gas phase by infrared spectroscopy for the first time. Experimental data indicate the presence of two conformers in the gas phase, the gauche (synclinal) and the trans (antiperiplanar) form. The molecular geometries and energetics of the possible conformers are obtained from DFT calculations at the B3LYP level and from ab initio calculations at the MP2, MP3, MP4, QCISD, and CCSD(T) levels of theory. The assignment of the gas-phase infrared spectrum is assisted by normal coordinate calculations based on the scaled computed force field of the two conformers. The kinetic instability of CH3-CH2OCN toward isomerization is studied at the B3LYP level, in a vacuum and in solutions. Solvent effects are modeled using the polarized continuum model (PCM). Calculations show that the isomerization is not a unimolecular process at ambient temperatures, and bimolecular processes are responsible for the instability. In polar solvents, the OCN- anion plays a key role in the isomerization, being an effective catalyst for the cyanate-isocyanate rearrangement.

Study on the degradation mechanism and pathway of benzene dye intermediate 4-methoxy-2-nitroaniline: Via multiple methods in Fenton oxidation process

Benzene dye intermediate (BDI) 4-methoxy-2-nitroaniline (4M2NA) wastewater has caused significant environmental concern due to its strong toxicity and potential carcinogenic effects. Reports concerning the degradation of 4M2NA by advanced oxidation process are limited. In this study, 4M2NA degradation by Fenton oxidation has been studied to obtain more insights into the reaction mechanism involved in the oxidation of 4M2NA. Results showed that when the 4M2NA (100 mg L-1) was completely decomposed, the TOC removal efficiency was only 30.70-31.54%, suggesting that some by-products highly recalcitrant to the Fenton oxidation were produced. UV-Vis spectra analysis based on Gauss peak fitting, HPLC analysis combined with two-dimensional correlation spectroscopy and GC-MS detection were carried out to clarify the degradation mechanism and pathway of 4M2NA. A total of nineteen reaction intermediates were identified and two possible degradation pathways were illustrated. Theoretical TOC calculated based on the concentration of oxalic acid, acetic acid, formic acid, and 4M2NA in the degradation process was nearly 94.41-97.11% of the measured TOC, indicating that the oxalic acid, acetic acid and formic acid were the main products. Finally, the predominant degradation pathway was proposed. These results could provide significant information to better understand the degradation mechanism of 4M2NA.