{3-[6-(3,5-Bis-hydroxymethyl-phenoxy)-hexyloxy]-5-hydroxymethyl-phenyl}-methanol | 948888-32-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: {3-[6-(3,5-Bis-hydroxymethyl-phenoxy)-hexyloxy]-5-hydroxymethyl-phenyl}-methanol
• CAS: 948888-32-2
• 化学式: C₂₂H₃₀O₆
• 分子量: 390.477
• InChiKey: FRVGQDWKXSYEOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  28.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  99.38
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  {3-[6-(3,5-Bis-hydroxymethyl-phenoxy)-hexyloxy]-5-hydroxymethyl-phenyl}-methanol 在 sodium sulfide 、 aluminum oxide 、 硫酸 、 水 、 氢溴酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  1,7-Dioxa[7](2,7)pyrenophane: The Pyrene Moiety Is More Bent than That of C70

  摘要：

  The synthesis of the highly strained title compound 8a was achieved by the valence isomerization and in situ dehydrogenation of the cyclophanediene 7a at only 80 degrees C. A single-crystal X-ray structure determination of 8a revealed that the pyrene moiety is remarkably bent, the two ends forming an angle of 109.2 degrees. This degree of lengthwise bend slightly exceeds that present in the pyrene unit found in the equator of D-5h C-70, rendering it the most bent pyrene group yet prepared. The expectation of unusual reactivity is borne out by the apparent Diels-Alder reaction between 8a and tetracyanoethylene (TCNE) to give adduct 9.

  DOI：

  10.1002/(sici)1521-3765(19990604)5:6<1823::aid-chem1823>3.0.co;2-i
• 作为产物：
  描述：

  5-羟基间苯二甲酸 在 lithium aluminium tetrahydride 、 硫酸 、 四丁基碘化铵 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 生成 {3-[6-(3,5-Bis-hydroxymethyl-phenoxy)-hexyloxy]-5-hydroxymethyl-phenyl}-methanol
  参考文献：
  名称：

  Bodwell, Graham J.; Bridson, John N.; Houghton, Tom J., Angewandte Chemie, 1996, vol. 108, # 12, p. 1418 - 1420

  摘要：

  DOI：

文献信息

• Pyridinium N-heteroarylaminides: synthesis of N-heteroarylpolyamines
  作者：Rafael R. Castillo、Marta Córdoba、M. Luisa Izquierdo、Julio Alvarez-Builla

  DOI：10.1016/j.tet.2009.09.079

  日期：2009.11

  The synthesis of a set of new N-heteroarylpolyamines is reported. A multiple and regioselective alkylation on the exo nitrogen of pyridinium N-(heteroaryl)aminides with several polybromo compounds, followed by a clean N-N bond reduction of the corresponding pyridinium salts, provides an easy and general method to obtain the title compounds. (C) 2009 Elsevier Ltd. All rights reserved.
• Pyridinium N-heteroarylaminides: synthesis of N-heteroaryltetramines based on 1,6-bis(phenoxy)hexane and 1,3-bis(phenoxymethyl)benzene
  作者：Rafael Castillo、M. Luisa Izquierdo、Julio Alvarez-Builla

  DOI：10.1016/j.tetlet.2007.06.044

  日期：2007.8

  The synthesis of a set of new N-heteroaryltetramines is reported. A regioselective alkylation on the N-exo nitrogen of pyridinium N-(heteroaryl)aminide with the corresponding tetrabromo compounds, followed by a clean N-N bond reduction of the corresponding tetra-salts, allowed an easy and general method to obtain N, N', N"', A"" -tetrakis(2-heteroaryl) tetra mines. (c) 2007 Elsevier Ltd. All rights reserved.