5-(6-bromohexoxymethyl)-5-methyl-1,3-dioxane | 591218-81-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 5-(6-bromohexoxymethyl)-5-methyl-1,3-dioxane
• CAS: 591218-81-4
• 化学式: C₁₂H₂₃BrO₃
• 分子量: 295.217
• InChiKey: ZFTBXYODUQIMMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.97
• 重原子数：
  16.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-(6-bromohexoxymethyl)-5-methyl-1,3-dioxane 在 乙醇 、 硫酸 、 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 、 甲苯 为溶剂， 反应 11.0h， 生成 [4-[4-[6-[2-Methyl-3-(phenylcarbamoyloxy)-2-(phenylcarbamoyloxymethyl)propoxy]hexoxy]phenyl]phenyl] 4-decoxybenzoate
  参考文献：
  名称：

  Thermal Properties of Liquid-Crystalline Diols and Corresponding Bis-Urethanes with Mesogenic Groups of Various Structures in Side Chains

  摘要：

  The liquid-crystalline diols with mesogenic groups of different structures were synthetized and their temperature behavior and existence of mesophases were determined. These compounds were also reacted with phenylisocyanate to form bis-urethanes at the ratio of reactive groups [OH]/[NCO] = 1/1. The changes of phase transition temperatures due to the change of H-O-H to H-N-H interactions have been investigated. Generally, the introduction of a phenylurethane group into the molecule suppresses the occurence of mesophases; in the case of simple mesogens the mesophases disappear completely. Stiff substituents bound to mesogen as end groups (such as the phenyl group, alkoxy group, etc.) stabilize the mesophases to such a degree that the negative influence of urethane group is compensated and the LC properties are recovered.

  DOI：

  10.1080/15421400390193954
• 作为产物：
  描述：

  1,1,1-三(羟甲基)乙烷 在 盐酸 、 sodium 、 calcium chloride 作用下， 以 1,4-二氧六环 、 xylene 为溶剂， 反应 12.0h， 生成 5-(6-bromohexoxymethyl)-5-methyl-1,3-dioxane
  参考文献：
  名称：

  Thermal Properties of Liquid-Crystalline Diols and Corresponding Bis-Urethanes with Mesogenic Groups of Various Structures in Side Chains

  摘要：

  The liquid-crystalline diols with mesogenic groups of different structures were synthetized and their temperature behavior and existence of mesophases were determined. These compounds were also reacted with phenylisocyanate to form bis-urethanes at the ratio of reactive groups [OH]/[NCO] = 1/1. The changes of phase transition temperatures due to the change of H-O-H to H-N-H interactions have been investigated. Generally, the introduction of a phenylurethane group into the molecule suppresses the occurence of mesophases; in the case of simple mesogens the mesophases disappear completely. Stiff substituents bound to mesogen as end groups (such as the phenyl group, alkoxy group, etc.) stabilize the mesophases to such a degree that the negative influence of urethane group is compensated and the LC properties are recovered.

  DOI：

  10.1080/15421400390193954