The Cl replacement reaction of octachlorocyclotetraphosphazene, N4P4Cl8 (1), with two equimolar amounts of N-(4-fluorobenzyl)-N′-methylpropane-1,3-diamine led to the formation of 4,4,8,8-tetrachloro-2-trans-6-bis-N-(4-fluorobenzyl)-N′-methylpropane-1,3-diamino-cyclotetraphosphazene (2). The reaction of 2 with excess sodium 2,2,3,3-tetrafluoro-1,4-butanedioxide afforded the bis(2,2,3,3-tetrafluoro-1,4-butanedialkoxy)-2-trans-6-bis(4-fluorobenzyl)spirocyclotetraphosphazene (2a). The elemental analyses, mass spectrum (ESI–MS), FTIR, HSQC, HMBC, 1H, 13C and 31P NMR spectral data of 2a were consistent with the proposed structure. The crystal structure of 2a was elucidated by X-ray diffraction method. The spectroscopic data of the molecules (2 and 2a) in the ground state were investigated by the Density Functional Theory (DFT) from the crystal structures. On the other hand, compound 2a was found to be the most active against S. aureus G(+) (MIC value: 125 µM). Whilst, any antifungal activity of 2a was not observed against C. albicans and C. tropicalis. This compound also exhibits cytotoxic activity against L929 fibroblast and MCF-7 breast cancer cells. The interaction of 2a with pBR322 DNA was researched using gel electrophoresis. It is understood that the change in DNA conformation by interstrand of 2a with A/A and G/G nucleobases in DNA. The synthesis, spectroscopic and crystallographic characterizations, biological activities and DFT studies of bis(2,2,3,3-tetrafluoro-1,4-butanedialkoxy)-2-trans-6-bis(4-fluorobenzyl)spirocyclotetraphosphazene were presented.

中文翻译：

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Bis(2,2,3,3-tetrafluoro-1,4-butanedialkoxy)-2-trans-6-bis(4-fluorobenzyl)spirocyclotetraphosphazene 的合成：结构表征、生物活性和 DFT 研究

八氯环四磷腈 N4P4Cl8 (1) 与两个等摩尔量的 N-(4-fluorobenzyl)-N'-methylpropane-1,3-diamine 的 Cl 置换反应导致形成 4,4,8,8-四氯- 2-trans-6-bis-N-(4-fluorobenzyl)-N'-methylpropane-1,3-diamino-cyclotetraphosphazene (2)。2 与过量的 2,2,3,3-四氟-1,4-丁二氧化钠反应得到双(2,2,3,3-四氟-1,4-丁烷二烷氧基)-2-trans-6-bis (4-氟苄基)螺环四磷腈 (2a)。2a 的元素分析、质谱 (ESI-MS)、FTIR、HSQC、HMBC、1H、13C 和 31P NMR 光谱数据与所提出的结构一致。通过X射线衍射法阐明了2a的晶体结构。通过密度泛函理论（DFT）从晶体结构研究基态分子（2和2a）的光谱数据。另一方面，发现化合物 2a 对金黄色葡萄球菌 G(+) 的活性最强（MIC 值：125 µM）。同时，未观察到 2a 对白色念珠菌和热带念珠菌的任何抗真菌活性。该化合物还表现出对 L929 成纤维细胞和 MCF-7 乳腺癌细胞的细胞毒活性。使用凝胶电泳研究了 2a 与 pBR322 DNA 的相互作用。据了解，DNA 构象的变化是由 2a 与 DNA 中的 A/A 和 G/G 核碱基的链间引起的。双(2,2,3,3-四氟-1,