disodium derivative of bis<2-(o-hydroxyphenoxy)ethyl>ether | 67039-31-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: disodium derivative of bis<2-(o-hydroxyphenoxy)ethyl>ether
• 英文别名: bis<2-(o-hydroxyphenoxy)ethyl>ether disodium derivative；sodium 2,2'-bisphenolate；bis[2-(o-oxyphenoxy)]diethyl ether, disodium salt；bis[2-(o-oxyphenoxy)]diethylether, sodium salt；sodium 2,2'-oxybis(ethyleneoxy)diphenolate；2,2'-(3-oxa-pentane-1,5-diyldioxy)-bis-phenol; disodium salt
• CAS: 67039-31-0；92802-79-4
• 化学式: C₁₆H₁₆O₅*2Na
• 分子量: 334.28
• InChiKey: WHFFPRCUHFBHAF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.69
• 重原子数：
  22.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  73.81
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  双(2-氯乙基)甲基膦酸酯 、 disodium derivative of bis<2-(o-hydroxyphenoxy)ethyl>ether 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以40%的产率得到dibenzo(methylphosphinylidene)-20-crown-7
  参考文献：
  名称：

  Kirsanov, A. V.; Kudrya, T. N.; Shtepanek, A. S., Journal of general chemistry of the USSR, 1980, vol. 50, # 11, p. 1980 - 1982

  摘要：

  DOI：

文献信息

• Encapsulation of ruthenium(ii) with macrobicyclic dioxime-functionalized ligands: on the way to new types of DNA-cleaving agents and probes
  作者：Yan Z. Voloshin、Oleg A. Varzatskii、Tatyana E. Kron、Vitaly K. Belsky、Valery E. Zavodnik、Nataly G. Strizhakova、Victor A. Nadtochenko、Vyacheslav A. Smirnov

  DOI：10.1039/b107172f

  日期：2002.3.8

  The clathrochelate di- and tri-ribbed-functionalized ruthenium(II) tris-dioximates with alkylamine, thioaryl, thioalkyl, phenoxyl, and crown ether substituents in α-dioximate fragments have been synthesized starting from reactive hexachloride clathrochelate precursors, formed by cross-linking with phenyl-, n-butyl- and fluoro-boronic capping groups. The IR, UV-vis, 1H, 13C NMR and luminescent spectra as well as X-ray data for complexes obtained have been discussed. The redox characteristics (from cyclic voltammograms) for ruthenium(II) clathrochelates have been correlated with the electrochemical parameters of the corresponding iron(II) complexes and σpara constants for functionalizing substituents.

  本研究以活性六氯螯合物前体为起点，通过与苯基、正丁基和氟硼酸封端基团交联，合成了具有烷基胺、硫芳基、硫烷基、苯氧基和冠醚取代基的螯合物二重和三重功能化钌(II)三二噁亚酸盐。本文讨论了所获得复合物的红外光谱、紫外-可见光谱、1H、13C NMR 和发光光谱以及 X 射线数据。钌（II）螯合物的氧化还原特性（来自循环伏安图）与相应铁（II）络合物的电化学参数和官能化取代基的 σpara 常量相关联。
• Clathrochelate monoribbed-functionalized iron(ii) α-dioximates: synthetic pathways and structural and electrochemical features
  作者：Yan Z. Voloshin、Valery E. Zavodnik、Oleg A. Varzatskii、Vitaly K. Belsky、Aleksei V. Palchik、Nataly G. Strizhakova、Ivan I. Vorontsov、Mikhail Yu. Antipin

  DOI：10.1039/b107021p

  日期：——

  Monoribbed-functionalized (i.e. functionalization of only one of the three α-dioximate fragments) clathrochelate iron(II) tris-dioximates have been synthesized starting from the dichloride precursor FeBd2(Cl2Gm)(BF)2 (where Bd2− and Cl2Gm2− are α-benzyldioxime and dichloroglyoxime dianions, respectively), obtained by condensation of the macrocyclic iron(II) bis-α-benzyldioximate [FeBd2(BF2)2(MeCN)2] with H2Cl2Gm. Thioalkyl, alkylamine, oxo- and azaoxocrown ether clathrochelates, as well as the bis-clathrochelate with a 1,5-diaminopentane bridging fragment, have been characterized using elemental analysis, PD mass, IR, UV-vis, 57Fe Mössbauer and 1H, 13C and 11B NMR spectroscopies, and X-ray crystallography [for the FeBd2(Cl2Gm)(BF)2·2C6H6, FeBd2(Et2N)ClGm}(BF)2·C6H6 and FeBd2(MeS)2Gm}(BF)2 complexes]. Configurations intermediate between trigonal prismatic and trigonal antiprismatic have been deduced for the low-spin iron(II) ion coordination polyhedra of the monoribbed-functionalized clathrochelates using 57Fe Mössbauer parameters. The products of de- and re-alkylation reactions of the methylthiol complex FeBd2(MeS)2Gm}(BF)2 have been identified. The correlation of E1/2 values for Fe3+/Fe2+ couples (from cyclic voltammograms) with Hammett σpara constants for substituents in the functionalized fragments is discussed.

  从二氯化物前体 FeBd2的三-二氧杂环铁(II)的合成始于二氯前体 FeBd2(Cl2Gm)(BF)2（其中 Bd2â 和 Cl2Gm2â 分别为δ-苄基二氧杂环肟和二氯二氧杂环肟二离子）、），由大环双δ-苄基二氧杂环铁[FeBd2(BF2)2(MeCN)2]与 H2Cl2Gm 缩合而成。对于 FeBd2(Cl2Gm)(BF)2Â-2 、FeBd2(Et2N)ClGm}(BF)2Â-C6H6 和 FeBd2(MeS)2Gm}(BF)2 复合物，则使用了元素分析、PD 质量、红外光谱、紫外-可见光谱、57Fe M¶ssbauer、1H、13C 和 11B NMR 光谱以及 X 射线晶体学对其进行了表征]。利用 57Fe M¶ssbauer参数，推导出了单硼官能化螯合物的低自旋铁(II)离子配位多面体介于三棱柱形和三棱柱形之间的构型。确定了甲硫醇复合物 FeBd2(MeS)2Gm}(BF)2 的去烷基化和再烷基化反应产物。讨论了 Fe3+/Fe2+ 偶合的 E1/2 值（来自循环伏安图）与官能化片段中取代基的 Hammett Ïpara 常量的相关性。
• Chaikovskaya, A. A.; Kudyra, T. N.; Pinchuk, A. M., Journal of Organic Chemistry USSR (English Translation), 1989, vol. 25, # 9.2, p. 1808 - 1810
  作者：Chaikovskaya, A. A.、Kudyra, T. N.、Pinchuk, A. M.

  DOI：——

  日期：——
• Zasorina, V. A.; Shtepanek, A. S.; Pinchuk, A. M., Journal of general chemistry of the USSR, 1982, vol. 52, # 5, p. 941 - 946
  作者：Zasorina, V. A.、Shtepanek, A. S.、Pinchuk, A. M.

  DOI：——

  日期：——
• Kirsanov, A. V.; Zasorina, V. A.; Shtepanek, A. S., Doklady Chemistry, 1981, vol. 259, p. 373 - 374
  作者：Kirsanov, A. V.、Zasorina, V. A.、Shtepanek, A. S.、Pinchuk, A. M.

  DOI：——

  日期：——