1,5-bis[2-(diethoxyphosphinyl)phenoxy]-3-oxapentane | 120582-95-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,5-bis[2-(diethoxyphosphinyl)phenoxy]-3-oxapentane
• 英文别名: 1-Diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene
• CAS: 120582-95-8
• 化学式: C₂₄H₃₆O₉P₂
• 分子量: 530.492
• InChiKey: FSULBNNKLSSWDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  35
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  98.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1,5-bis[2-(diethoxyphosphinyl)phenoxy]-3-oxapentane 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 15.0h， 生成 bisdiethylene glycol
  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：
• 作为产物：
  描述：

  二乙基苯基磷酸酯 、 二乙二醇双对甲苯磺酸酯 在 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 11.0h， 以65%的产率得到1,5-bis[2-(diethoxyphosphinyl)phenoxy]-3-oxapentane
  参考文献：
  名称：

  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

  摘要：

  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.

  DOI：

  10.1134/s0036023611080043

文献信息

• 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：——