2-(6-Bromo-hexyloxymethyl)-2-methyl-propane-1,3-diol | 591218-82-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(6-Bromo-hexyloxymethyl)-2-methyl-propane-1,3-diol
• 英文别名: 2-{[(6-Bromohexyl)oxy]methyl}-2-methylpropane-1,3-diol；2-(6-bromohexoxymethyl)-2-methylpropane-1,3-diol
• CAS: 591218-82-5
• 化学式: C₁₁H₂₃BrO₃
• 分子量: 283.206
• InChiKey: QTAGIXBJVWEBBP-UHFFFAOYSA-N

物化性质

• 沸点：
  388.2±32.0 °C(Predicted)
• 密度：
  1.260±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(6-Bromo-hexyloxymethyl)-2-methyl-propane-1,3-diol 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 、 甲苯 为溶剂， 反应 1.0h， 生成 [2-methyl-2-[6-[4-(4-octoxyphenyl)phenoxy]hexoxymethyl]-3-(phenylcarbamoyloxy)propyl] 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：

  1,1,1-三(羟甲基)乙烷 在 盐酸 、 乙醇 、 硫酸 、 sodium 、 calcium chloride 作用下， 以 1,4-二氧六环 、 xylene 为溶剂， 反应 22.0h， 生成 2-(6-Bromo-hexyloxymethyl)-2-methyl-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

• Thermotropic and lyotropic behaviour of new liquid-crystalline materials with different hydrophilic groups: synthesis and mesomorphic properties
  作者：Alexej Bubnov、Miroslav Kašpar、Věra Hamplová、Ute Dawin、Frank Giesselmann

  DOI：10.3762/bjoc.9.45

  日期：——

  Several new calamitic liquid-crystalline (LC) materials with flexible hydrophilic chains, namely either hydroxy groups or ethylene glycol units, or both types together, have been synthesized in order to look for new functional LC materials exhibiting both, thermotropic and lyotropic behaviour. Such materials are of high potential interest for challenging issues such as the self-organization of carbon

  已经合成了几种具有柔性亲水链（即羟基或乙二醇单元，或两者兼有）的新型棒状液晶（LC）材料，以寻找兼具热致和溶致行为的新型功能性液晶材料。这种材料对于诸如碳纳米管或各种纳米粒子的自组织等具有挑战性的问题具有很高的潜在兴趣。已经通过使用偏振光学显微镜、差示扫描量热法和 X 射线散射研究了热致介晶性质。这些非手性和手性材料中的四种分别表现出向列相和手性向列相。对于某些分子结构，也检测到近晶相。一种制备的化合物与二甘醇的接触样品清楚地显示了溶致行为；即观察到层状相。讨论了这些具有亲水链的新型 LC 的分子结构和介晶性质之间的关系。
• 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.