2,2'-[2,2'-oxybis(ethane-2,1-diyl)bis(oxy)]bis(2,1-phenylene)diphosphonic acid | 124551-19-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,2'-[2,2'-oxybis(ethane-2,1-diyl)bis(oxy)]bis(2,1-phenylene)diphosphonic acid
• 英文别名: diethylene glycol bis(o-dihydroxyphosphinylphenyl) ether；1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane；2-{2-[2-(2-Phosphonophenoxy)ethoxy]ethoxy}phenylphosphonic acid；[2-[2-[2-(2-phosphonophenoxy)ethoxy]ethoxy]phenyl]phosphonic acid
• CAS: 124551-19-5
• 化学式: C₁₆H₂₀O₉P₂
• mdl: MFCD00778058
• 分子量: 418.277
• InChiKey: VNLLHKJEJCWEMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  143
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2,2'-[2,2'-oxybis(ethane-2,1-diyl)bis(oxy)]bis(2,1-phenylene)diphosphonic acid 以 乙醇 为溶剂， 生成 Cu(1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane(-2H))
  参考文献：
  名称：

  Synthesis, vibrational spectra, and crystal and molecular structure of copper 1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane dihydrate [Cu(H2L2)(H2O)2]

  摘要：

  A new complex Cu(H2L2)(H2O)(2)] (I), where H4L2 is 1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane, has been synthesized and characterized. Its molecular and crystal structure has been determined by X-ray crystallography and vibrational spectroscopy. In mononuclear complex I, the copper(II) cation is in a distorted square-planar environment of two water oxygen atoms and two oxygen atoms of the chelating dianion (H2L2)(2-). The crystals are orthorhombic, space group Cmc2(1), a = 25.909(5) , b = 9.1500(18) , c = 8.5600(17) , V = 2029.3(7) (3), Z = 4, rho(calc) = 1.688 g cm(-3), mu = 1.292 cm(-1); 3107 measured reflections, 1174 reflections with I > 2.0 sigma(I), R (int) = 0.0600, GOOF = 1.413, R (1) (I > 2 sigma(I)) = 0.0812, wR (2) (I > 2 sigma(I)) = 0.2145.

  DOI：

  10.1134/s0036023612050038
• 作为产物：
  描述：

  bisdiethylene glycol 在 三甲基氯硅烷 、 四丁基溴化铵 、 sodium bromide 作用下， 以 乙腈 为溶剂， 反应 5.0h， 生成 2,2'-[2,2'-oxybis(ethane-2,1-diyl)bis(oxy)]bis(2,1-phenylene)diphosphonic acid
  参考文献：
  名称：

  Baulin, V. E.; Syundyukova, V. Kh.; Tsvetkov, E. N., Journal of general chemistry of the USSR, 1989, vol. 59, # 1.1, p. 52 - 57

  摘要：

  DOI：

文献信息

• Lithium 1,5-bis[2-dioxyphosphinyl)phenoxy]-3-oxapentane hydrate: Synthesis, vibrational spectra, and crystal structure
  作者：V. E. Baulin、M. A. Kiskin、I. S. Ivanova、E. N. Pyatova、D. V. Baulin、A. Yu. Tsivadze

  DOI：10.1134/s1070328411050010

  日期：2011.6

  (I), where H4L2 is 1,5-bis[2-(dioxyphosphinyl)phenoxy]-3-oxapentane, is synthesized. Its crystal and molecular structures are determined by X-ray diffraction analysis and vibrational spectroscopy. Complex I is an isolated chain polymer in which the Li+ cations bind anions (H3L2)− of the bridging ligand. The crystals are orthorhombic: a = 8.1860(3) Å, b = 9.9093(4) Å, c = 23.6293(8) Å, V = 1916.75(12)

  合成其中H 4 L 2为1，5-双[2-（二氧膦基）苯氧基] -3-氧杂戊烷的配合物[Li（H 3 L 2）（H 2 O）] n（I）。它的晶体和分子结构是通过X射线衍射分析和振动光谱法确定的。配合物I是其中Li +阳离子结合桥联配体的阴离子（H 3 L 2）-的分离的链状聚合物。晶体是正交晶体：a = 8.1860（3）Å，b = 9.9093（4）Å，c = 23.6293（8）Å，V = 1916.75（12）一种3，Ž = 4，空间群Pna2 1。聚合物链的框架通过配位水分子的两个氢原子与醚基和膦基的两个氧原子之间的氢键稳定。
• Synthesis, vibrational spectra, and crystal and molecular structure of 1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane dihydrate [(HO)2(O)P(C6H4)(OCH2CH2)2O(C6H4)P(O)(OH)2(H2O)] · H2O
  作者：V. E. Baulin、L. Kh. Minacheva、I. S. Ivanova、E. N. Pyatova、A. V. Churakov、D. V. Baulin、V. S. Sergienko、A. Yu. Tsivadze

  DOI：10.1134/s0036023611080043

  日期：2011.8

  A modified method of synthesis of a phosphoryl podand, 1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane (L), has been developed. The IR spectra of this podand and its dehydrate (L [L center dot H2O] center dot H2O (I) have been studied, the structure of I has been determined by X-ray crystallography. The crystals are orthorhombic, a = 9.4006(19) angstrom, b = 25.494(5) angstrom, c = 8.4264(17) angstrom, V = 2019.5(7) angstrom(3), Z = 4, space group Pna2(1), R = 0.0512 for 3016 reflections with I > 2 sigma(I). Compound I is a host-guest molecular complex. Phosphoryl podand L acts as a host molecule, and one of the water molecules (H2O(11)) is a guest. This molecule forms one donor and one acceptor intramolecular hydrogen bond with hydroxyl groups of two phosphoryl groups (O(8)H(4) and O(3)H(2)) and combines them into an 18-membered macrocyclic ring, acting as a kind of "lock." The H2O(11) molecule forms a second donor intramolecular hydrogen bond with the O(5) ether atom. The neutral molecular complexes are linked by hydrogen bonds directly and through the second water molecule (H2O(10)) into chains running along the c axis.
• BAULIN, V. E.;SYUNDYUKOVA, V. X.;TSVETKOV, E. N., ZH. OBSHCH. XIMII, 59,(1989) N, S. 62-67
  作者：BAULIN, V. E.、SYUNDYUKOVA, V. X.、TSVETKOV, E. N.

  DOI：——

  日期：——
• TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION
  申请人：MILLAN JOSE LUIS

  公开号：US20090156560A1

  公开（公告）日：2009-06-18

  Disclosed herein are compounds that are tissue-nonspecific alkaline phosphatase inhibitors. The disclosed compounds are used to treat, prevent, or abate vascular calcification, arterial calcification and other cardiovascular diseases.
• US8119693B2
  申请人：——

  公开号：US8119693B2

  公开（公告）日：2012-02-21