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Synthesis, Crystal Structure, Spectroscopic Characterization and Anti-fungal Activity of Ethyl 2-Oxo-2H-chromene-3-carboxylateDerivatives
Journal of Molecular Structure ( IF 4.0 ) Pub Date : 2022-02-09 , DOI: 10.1016/j.molstruc.2022.132576
Jia Gu 1 , Pan-Lei Xiao 1 , Jie Wang 1 , Liang Zhong 2 , Xu-Liang Nie 1, 3 , Da-Yong Peng 1, 2, 3
Affiliation  

Ethyl 2-oxo-2H-chromene-3-carboxylate derivatives were synthesized and characterized by FT-IR, NMR, MS and X-ray crystal diffraction. Compound 3d crystallizes in the Triclinic system with space group P-1, a = 5.4325 (17) Å, b = 5.4325 (17) Å, c = 15.017 (6) Å, α= 106.057 (6) °, β = 99.012 (5) °, γ= 94.370 (4) °, V = 690.7 (4) Å3, Z = 2, Dc = 1.453 g/cm3, Mr = 302.20, F(000) = 308 and µ = 0.14 mm–1. Compound 3e crystallizes in the monoclinic system with space group P21/c, a = 6.5628 (18) Å, b = 6.7064 (19) Å, c = 26.628 (7) Å, β = 94.063 (3) °, V = 1169.0 (6) Å3, Z = 4, Dc = 1.41 g/cm3, Mr = 248.23, F(000) = 520 and µ = 0.11 mm–1.The potential anti-fungal activities have been studied against five kinds of common fungi at concentrations of 200ppm and 500ppm. The research showed that the target compounds exhibit certain anti-fungal activity against the tested fungal strains. The inhibition rate of compound 3b was the highest against Fusarium oxysporum, up to 60.29% at 500 ppm. Compound 3b is promising to become the lead compound of pesticide in the future, which is worthy of further study.



中文翻译:

2-氧代-2H-色烯-3-羧酸乙酯衍生物的合成、晶体结构、光谱表征及抗真菌活性

合成了2-氧代-2H-色烯-3-羧酸乙酯衍生物,并通过FT-IR、NMR、MS和X射线晶体衍射对其进行了表征。化合物3d在空间群P-1的三斜晶系​​中结晶,a = 5.4325 (17) Å, b = 5.4325 (17) Å, c = 15.017 (6) Å, α= 106.057 (6) °, β = 99.012 ( 5) °, γ= 94.370 (4) °, V = 690.7 (4) Å 3 , Z = 2, Dc = 1.453 g/cm 3 , Mr = 302.20, F(000) = 308 和 µ = 0.14 mm –1 . 化合物3e在空间群P 2 1 / c的单斜晶系中结晶,a = 6.5628 (18) Å, b = 6.7064 (19) Å, c = 26.628 (7) Å, β = 94.063 (3) °, V = 1169.0 (6) Å 3, Z = 4, Dc = 1.41 g/cm 3 , Mr = 248.23, F(000) = 520 and µ = 0.11 mm –1 . 对5种常见真菌在200ppm浓度下的潜在抗真菌活性进行了研究和 500 ppm。研究表明,目标化合物对受试真菌菌株具有一定的抗真菌活性。化合物3b尖孢镰刀菌的抑制率最高,在500 ppm时可达60.29%。化合物3b有望成为未来农药的先导化合物,值得进一步研究。

更新日期:2022-02-12
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