Citation:
ZHAO Zhi-Yonga, HUANG Dao-Zhan, LAN Hong-Yun, JIANG Shao-Fanga, ZHEN Yue-Wena. Novel Synthesis, Crystal Structure and Herbicidal Activity of (3R,4R)-4,7,7-Trimethyl-6-oxabicyclo[3.2.1]octane-3, 4-diol[J]. Chinese Journal of Structural Chemistry,
2015, 34(12): 1819-1824.
doi:
10.14102/j.cnki.0254-5861.2011-0798
Novel Synthesis, Crystal Structure and Herbicidal Activity of (3R,4R)-4,7,7-Trimethyl-6-oxabicyclo[3.2.1]octane-3, 4-diol
摘要:
The title compound, (3R,4R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-3,4-diol (C10H18O3), has been synthesized by using one-step catalytic synthetic method from α-pinene and structurally characterized by means of IR, 1H-NMR, 13C-NMR, HRMS and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/n with a=7.277(4), b=18.177(11), c=7.939(5) Å, β=91.122(8)°, Z=4, V=1049.9(11) Å, Dc=1.178 g/cm3, Mr=186.24, λ(MoKα)=0.71073 Å, μ=0.09 mm-1, F(000)=408, R=0.051 and wR=0.144. The title complex molecules contained two hydroxyls and are connected through hydrogen bonds to generate a two-dimensional network. Especially, the preliminary herbicidal activity results show that the title compound exhibits herbicidal activity against rape (Brassica campestris) and barnyard grass (Echinochloa crusgalli).
English
Novel Synthesis, Crystal Structure and Herbicidal Activity of (3R,4R)-4,7,7-Trimethyl-6-oxabicyclo[3.2.1]octane-3, 4-diol
Abstract:
The title compound, (3R,4R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-3,4-diol (C10H18O3), has been synthesized by using one-step catalytic synthetic method from α-pinene and structurally characterized by means of IR, 1H-NMR, 13C-NMR, HRMS and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/n with a=7.277(4), b=18.177(11), c=7.939(5) Å, β=91.122(8)°, Z=4, V=1049.9(11) Å, Dc=1.178 g/cm3, Mr=186.24, λ(MoKα)=0.71073 Å, μ=0.09 mm-1, F(000)=408, R=0.051 and wR=0.144. The title complex molecules contained two hydroxyls and are connected through hydrogen bonds to generate a two-dimensional network. Especially, the preliminary herbicidal activity results show that the title compound exhibits herbicidal activity against rape (Brassica campestris) and barnyard grass (Echinochloa crusgalli).
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Key words:
- monoterpene oxabicyclodiol
- / synthesis
- / crystal structure
- / herbicidal activity
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