1200835-85-3

Basic information

• Product Name: (+/-)-1-((2-chlorothiazol-5-yl)methyl)-5-(1-phenylethyl)-1,3,5-hexahydrotriazine-2-(N-nitro)imine
• Synonyms: (+/-)-1-((2-chlorothiazol-5-yl)methyl)-5-(1-phenylethyl)-1,3,5-hexahydrotriazine-2-(N-nitro)imine
• CAS NO: 1200835-85-3
• Molecular Weight: 380.858
• Mol File: 1200835-85-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (+/-)-1-((2-chlorothiazol-5-yl)methyl)-5-(1-phenylethyl)-1,3,5-hexahydrotriazine-2-(N-nitro)imine(CAS DataBase Reference)
• NIST Chemistry Reference: (+/-)-1-((2-chlorothiazol-5-yl)methyl)-5-(1-phenylethyl)-1,3,5-hexahydrotriazine-2-(N-nitro)imine(1200835-85-3)
• EPA Substance Registry System: (+/-)-1-((2-chlorothiazol-5-yl)methyl)-5-(1-phenylethyl)-1,3,5-hexahydrotriazine-2-(N-nitro)imine(1200835-85-3)

Safety Data

• Hazardous Substances Data: 1200835-85-3(Hazardous Substances Data)

Upstream product

• 1325765-40-9 C₁₁H₁₅N₅O₂ 
• 105827-91-6 α-Cl-β-thiazolyl chloride 

Relevant articles and documents

Synthesis, insecticidal activities, and molecular docking studies of 1,5-disubstituted-1,3,5-hexahydrotriazine-2-(N-nitro)imines

Figure represented. A series of novel neonicotinoids analogs were designed by modifying the pharmacophore of imidacloprid to 1,3,5-hexahydrotriazine conjugated to nitroimine (iNNO2) and introducing the phenyl or arylmethyl at the 5-position, and their insecticidal activities were evaluated. Introducing a heterocyclic methyl at 5-position increased the insecticidal activities, whereas other phenyl, phenylmethyl or phenylethyl substituents were unfavorable to activities. Molecular docking study was also performed to clarify the interactions of the most potent analog 1-((6-chloropyridin-3-yl)methyl)-5- (3-pyridylmethyl)-1,3,5-hexahydrotriazine-2-(N-nitro) imine (7s) with the target nicotinic acetylcholine receptor, which explained the structure-activity relationships observed in vitro, and revealed further possibilities for insecticide development.