4-{2-[(3,4-bis-dodecyloxy-phenyl)-hydroxy-methyl]-[1,3]dithian-5-yl}-phenol | 438226-90-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-{2-[(3,4-bis-dodecyloxy-phenyl)-hydroxy-methyl]-[1,3]dithian-5-yl}-phenol
• 英文别名: 4-[2-[(3,4-Didodecoxyphenyl)-hydroxymethyl]-1,3-dithian-5-yl]phenol；4-[2-[(3,4-didodecoxyphenyl)-hydroxymethyl]-1,3-dithian-5-yl]phenol
• CAS: 438226-90-5
• 化学式: C₄₁H₆₆O₄S₂
• 分子量: 687.105
• InChiKey: MIQCBBNJALTYMU-UHFFFAOYSA-N

物化性质

• 沸点：
  773.6±60.0 °C(predicted)
• 密度：
  1.047±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  47
• 可旋转键数：
  27
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-{2-[(3,4-bis-dodecyloxy-phenyl)-hydroxy-methyl]-[1,3]dithian-5-yl}-phenol 在 三乙胺 作用下， 以 苯 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Liposomes from Novel Photolabile Phospholipids:  Light-Induced Unloading of Small Molecules As Monitored by PFG NMR

  摘要：

  A molecular dithiane-based approach to synthesis of novel photolabile phospholipids is developed. These lipids are used in formulations with egg-POPC and cholesterol to prepare light-sensitive liposomes. Irradiation of such liposomes in PBS buffer (medium pressure mercury lamp, Pyrex filter, lambda > 300 nm) significantly increases the bilayer permeability and accelerates the release of entrapped small organic molecules by an order of magnitude. A simple assay, based on (1)H or (19)F PFG NMR measurements of diffusion coefficients, is developed to monitor light-induced unloading of the probe molecules.

  DOI：

  10.1021/ja016874i
• 作为产物：
  描述：

  溴代十二烷 在 氢氧化钾 、 正丁基锂 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.0h， 生成 4-{2-[(3,4-bis-dodecyloxy-phenyl)-hydroxy-methyl]-[1,3]dithian-5-yl}-phenol
  参考文献：
  名称：

  Liposomes from Novel Photolabile Phospholipids:  Light-Induced Unloading of Small Molecules As Monitored by PFG NMR

  摘要：

  A molecular dithiane-based approach to synthesis of novel photolabile phospholipids is developed. These lipids are used in formulations with egg-POPC and cholesterol to prepare light-sensitive liposomes. Irradiation of such liposomes in PBS buffer (medium pressure mercury lamp, Pyrex filter, lambda > 300 nm) significantly increases the bilayer permeability and accelerates the release of entrapped small organic molecules by an order of magnitude. A simple assay, based on (1)H or (19)F PFG NMR measurements of diffusion coefficients, is developed to monitor light-induced unloading of the probe molecules.

  DOI：

  10.1021/ja016874i

文献信息

• Liposomes from Novel Photolabile Phospholipids:  Light-Induced Unloading of Small Molecules As Monitored by PFG NMR
  作者：Yongqin Wan、Joseph K. Angleson、Andrei G. Kutateladze

  DOI：10.1021/ja016874i

  日期：2002.5.1

  A molecular dithiane-based approach to synthesis of novel photolabile phospholipids is developed. These lipids are used in formulations with egg-POPC and cholesterol to prepare light-sensitive liposomes. Irradiation of such liposomes in PBS buffer (medium pressure mercury lamp, Pyrex filter, lambda > 300 nm) significantly increases the bilayer permeability and accelerates the release of entrapped small organic molecules by an order of magnitude. A simple assay, based on (1)H or (19)F PFG NMR measurements of diffusion coefficients, is developed to monitor light-induced unloading of the probe molecules.