Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, Safety of 4-(2-Aminoethyl)aniline, 13472-00-9, Name is 4-(2-Aminoethyl)aniline, SMILES is NCCC1=CC=C(N)C=C1, belongs to pyrrolines compound. In a document, author is Ra, Jiwoon, introduce the new discover.
Occurrence and transformation of gabapentin in urban water quality engineering: Rapid formation of nitrile from amine during drinking water chlorination
The occurrence and fate of the popular pharmaceutical gabapentin (GBP) in the urban water cycle were investigated with a focus on its transformation during water chlorination. GBP was detected in all samples with average concentrations of 1285 ng/L (n = 24) for wastewater effluent, 304 ng/L for river water (n = 22), and 180 ng/L for drinking water treatment plant (DWTP) influent (n = 4). The monitoring sites were located in the Nakdong River watershed, Korea. GBP was rapidly (within 20 min) transformed into 1-cyanocyclohexylacetic acid (GBP-nitrile) under typical chlorination conditions (1.4 mgCl(2)/L). When there was a molar excess of chlorine to GBP, the primary amine of GBP was double-chlorinated to form N-Cl-2 GBP with a second-order rate constant of >10(3) M-1 s(-1). Decomposition of N-Cl-2 GBP had a first-order rate constant of (0.5-1.0) x 10(-2) s(-1) and produced GBP-nitrile with a yield of 87%-10 0%. We propose that N-Cl-2 GBP is transformed into N-Cl GBP imine and then to GBP-nitrile via two consecutive dehydrochlorinations with the former as the rate-limiting step. N-Cl-2 GBP had a much higher decom-position rate than N-Cl-2 produced from other simple aliphatic amines, which could be related to the structural features of GBP such as its carboxyl group and quaternary b-carbon. The wastewater effluent samples did not contain GBP-nitrile even in the chlorinated effluent because of the relatively low chlorine dose or high ammonia level. In a full-scale DWTP employing a pre-chlorination unit, GBP present in the influent river water was fully transformed into GBP-nitrile. The formed GBP-nitrile was degraded in subsequent ozonation (*OH oxidation) and biological activated carbon filtration (biodegradation) processes. The toxicity of GBP-nitrile is thought to be low but further studies are warranted to assess the toxicological relevance of nitrile formation during water chlorination. (c) 2020 Elsevier Ltd. All rights reserved.
A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 13472-00-9. Safety of 4-(2-Aminoethyl)aniline.
Reference:
Pyrroline – Wikipedia,
,1-Pyrroline | C4H7N – PubChem