In this study, we will report on
the synthesis and application of efficient botanical agrochemicals
from turpentine for sustainable crop protection. Two series of turpentine
derived secondary amines were synthesized and identified by FT-IR, 1H NMR, 13C NMR, and HRMS. The herbicidal activities
against Echinochloa crus-galli were
evaluated. The potential toxicity of the synthesized compounds was
tested by MTT cytotoxicity analysis. The effect of structure of the
synthesized secondary amines and corresponding Schiff base compounds
on their activities was investigated by quantitative structure–activity
relationship (QSAR) study. All target products were found to be low
toxicity, with similar or higher herbicidal activities than commercial
herbicides diuron and Glyphosate. Results of QSAR study showed that
a best four-descriptor QSAR model with R
2 of 0.880 and R
loo
2 of 0.818
was obtained. The four descriptors most relevant to the herbicidal
activities are the min valency of a N atom, the max total interaction for a C−H bond, the relative number of aromatic bonds, and the min
partial charge (Q
min
).
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