10366-35-5Relevant articles and documents
Synthesis, cyrstal structure, fungicidal activity and molecular docking of nicotinic acyl urea derivatives
Zhang, Pei-Pei,Wang, Qiao,Min, Li-Jing,Wu, Hong-Ke,Weng, Jian-Quan,Tan, Cheng-Xia,Zhang, Yong-Gang,Liu, Xing-Hai
, (2020)
A series of nicotinic acyl urea derivatives were designed using boscalid as a lead compound. They were synthesized via four steps. Their structures were confirmed by 1H NMR, HRMS and X-ray diffraction. Some of these new nicotinic acyl urea derivatives(4d, 4g, 4h and 4k) had moderate fungicidal activity against Gibberella zeae, Sclerotinia sclerotiorum, Rhizoctonia solani, Botrytis cinerea and Physalospora piricola at 50 mg/L, which is a little weaker than the commercial fungicide fluxapyroxad. The SAR was studied by using molecular docking.
Regioselective synthesis of 2-chloro 3-pyridinecarboxylates
Zhang,Stout,Keay,Scriven,Toomey,Goe
, p. 13177 - 13184 (1995)
2-Chlorocyanoacetate was found to undergo base-catalyzed Michael addition to α,β-unsaturated ketones or aldehydes to afford 5-oxopentenenitrile derivatives. In the presence of anhydrous HCl, these compounds cyclize to yield 2-chloro-3-pyridinecarboxylates. The process is highly regiospecific and useful in the synthesis of 2,3-disubstituted pyridines.
Fluorine-containing nicotinyl urea compounds and preparation method and application thereof
-
, (2019/02/21)
The invention discloses a fluorine-containing nicotinyl urea compound. The structural formula of the fluorine-containing nicotinyl urea compound is as shown in the specification. In a formula (I), H on a benzene ring is monosubstituted or polysubstituted by substituent groups R, wherein n is an integer from 1 to 5 and represents the number of the substituent groups R on the benzene ring; when n is1, H on the benzene ring is monosubstituted by the substituent group R; when n is from 2 to 5, H on the benzene ring is polysubstituted by the substituent groups R; and the substituent groups R on different substituent positions are same or different. The invention also provides a preparation method and application of the fluorine-containing nicotinyl urea compound. As a bactericide, the fluorine-containing nicotinyl urea compound is used for inhibiting botrytis cinerea, gibberella zeae, sclerotinia sclerotiorum or physalospora piricola.
Synthesis, crystal structure, fungicidal activity, molecular docking, and density functional theory study of 2-chloro-N-(p-tolylcarbamoyl)nicotinamide
Chen, Wei-Ting,Wang, Qiao,Min, Li-Jing,Wu, Hong-Ke,Weng, Jian-Quan,Tan, Cheng-Xia,Zhang, Yong-Gang,Hu, Bei-Zhen,Liu, Xing-Hai
, p. 429 - 435 (2020/01/03)
A new nicotine acylurea, 2-chloro-N-(p-tolylcarbamoyl)nicotinamide (4) was synthesized and its structure was confirmed by proton nuclear magnetic resonance, high resolution mass spectrometry analyses, and X-ray diffraction. The preliminary activity results demonstrated that the compound 4 exhibits moderate inhibitory activity against Sclerotinia sclerotiorum and Physalospora piricola. Further, docking results indicated that the key active group is amide group and pyridine moiety. The density functional theory calculation results showed that direct of electron transfer is from benzene ring to pyridine ring. The energy gap between the highest occupied molecular orbital and lowest unoccupied molecular orbital was calculated.
