2-(6-Bromo-hexyl)-propane-1,3-diol | 591218-80-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(6-Bromo-hexyl)-propane-1,3-diol
• 英文别名: 2-(6-Bromohexyl)-1,3-propanediol；2-(6-bromohexyl)propane-1,3-diol
• CAS: 591218-80-3
• 化学式: C₉H₁₉BrO₂
• 分子量: 239.153
• InChiKey: URGIFVZUTFNLRK-UHFFFAOYSA-N

物化性质

• 沸点：
  340.4±32.0 °C(Predicted)
• 密度：
  1.288±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(6-Bromo-hexyl)-propane-1,3-diol 在 potassium carbonate 作用下， 以 丙酮 、 甲苯 为溶剂， 反应 49.0h， 生成 [2-(phenylcarbamoyloxymethyl)-8-[4-[(4-phenylphenyl)diazenyl]phenoxy]octyl] N-phenylcarbamate
  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：

  2-(6-溴己基)-丙二酸二乙酯 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以27 g的产率得到2-(6-Bromo-hexyl)-propane-1,3-diol
  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

文献信息

• Optical storage medium
  申请人：Riso National Laboratory

  公开号：US05496670A1

  公开（公告）日：1996-03-05

  A macroscopically isotropic side chain liquid crystal polymer is described containing photochromic mesogenic groups and which through irradiation with light is capable of being permanently or substantially permanently converted into an optically anisotropic phase without having been pre-oriented. The polymer is preferably a polyester between on the one hand either an aliphatic, optionally substituted, .alpha.,.omega.-dicarboxylic acid having a total chain length of up to 24 carbon atoms, or an aryl-, in particular phenyl-, carboxylic acid, and on the other hand an optionally substituted 1,3-propanediol containing the mesogenic group, or a group containing the mesogenic group, attached to the carbon in the 2-position. Furthermore, an optical storage device comprising a film of the polymer.

  本文描述了一种宏观各向同性的侧链液晶聚合物，其中包含光致变色的介质基团，并且通过光辐射能够在没有预定向的情况下被永久或基本永久地转化为光学各向异性相。该聚合物最好是一种聚酯，其一方面是具有总碳链长度高达24个碳原子的脂肪族、可选取代的α，ω-二羧酸，或芳基（特别是苯基）羧酸，另一方面是含有介质基团的可选取代的1,3-丙二醇，或者是将介质基团连接到2-位碳上的基团。此外，还提供了一种包含该聚合物膜的光学存储装置。
• Thermal Properties of Liquid-Crystalline Diols and Corresponding Bis-Urethanes with Mesogenic Groups of Various Structures in Side Chains
  作者：M. Kašpar、V. Hamplová、V. Novotná、M. Studenovský、M. Ilavský

  DOI：10.1080/15421400390193954

  日期：2003.1.1

  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.