4-[6-(3-Methyl-oxetan-3-ylmethoxy)-hexyloxy]-benzoic acid | 196864-49-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[6-(3-Methyl-oxetan-3-ylmethoxy)-hexyloxy]-benzoic acid
• 英文别名: 4-[6-(3-methyloxetane-3-ylmethoxy)hexyloxy)benzoic acid；4-[6-(3-methyloxetane-3-ylmethoxy)hexyloxy]benzoic acid；4-[6-(3-methyloxetan-3-ylmethoxy)hexyloxy]benzoic acid；Benzoic acid, 4-[[6-[(3-methyl-3-oxetanyl)methoxy]hexyl]oxy]-；4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]benzoic acid
• CAS: 196864-49-0
• 化学式: C₁₈H₂₆O₅
• 分子量: 322.401
• InChiKey: RGLVYFPOCZGUEH-UHFFFAOYSA-N

物化性质

• 熔点：
  58.5 °C(Solv: ethyl acetate (141-78-6))
• 沸点：
  469.8±25.0 °C(Predicted)
• 密度：
  1.120±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[6-(3-Methyl-oxetan-3-ylmethoxy)-hexyloxy]-benzoic acid 、 在 4-二甲氨基吡啶 、 N,N'-二异丙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以16.1 g的产率得到
  参考文献：
  名称：

  JP2015/40174

  摘要：

  公开号：
• 作为产物：
  描述：

  ethyl 4-[6-(3-methyloxetane-3-ylmethoxy)hexyloxy]benzoate 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 4-[6-(3-Methyl-oxetan-3-ylmethoxy)-hexyloxy]-benzoic acid
  参考文献：
  名称：

  Polymerizable liquid crystal composition and polymer thereof

  摘要：

  一种聚合液晶组合物，包含由公式（1-1）和公式（1-2）表示的化合物，由公式（2-1）和公式（2-2）表示的化合物，以及由公式（3-1）表示的化合物：该聚合液晶组合物具有均匀、家向或混合取向，可以涂覆在支撑基底上，例如透明塑料薄膜，如三乙酰纤维素薄膜或环氧烷基聚合物薄膜或玻璃上，并在保持取向的同时在基底上成膜。

  公开号：

  US20060278851A1

文献信息

• Polymerizable liquid crystalline dioxetanes, their preparation and use
  申请人：KONINKLIJKE PHILIPS ELECTRONICS N.V.

  公开号：US20030111640A1

  公开（公告）日：2003-06-19

  New photopolymerizable liquid crystalline dioxetane compounds are provided. having the general formula I: 1 wherein R 1 and R 2 are independently selected from straight or branched C 1 -C 4 alkyl and hydrogen; X and X′ are independently selected from oxygen, sulfur, a single covalent bond, —O—CO—, —CO—O—, and —O—CO—O—; Y and Y′ are spacer groups having each independently 1 to 30 carbon atoms (linear or branched), in which the carbon chain may be interrupted by oxygen in the ether function or by sulfur in the thioether function; Z and Z′ are independently selected from oxygen, sulfur, a single covalent bond, —O—CO—, —CO—O—, and —O—CO—O—; and M is any suitable mesogenic group. Also, compositions are provided containing one or more compounds of formula I, as well as methods of preparing said compounds and compositions. These compounds and compositions show excellent characteristics upon polymerization, such as improved non-shrinking properties, and are useful in a variety of applications, in particular in liquid crystal devices, sensors, and optical precision instruments. ½

  本发明提供了新的光聚合液晶二氧杂环烷化合物，其具有通式I:1，其中R1和R2分别选择直链或支链的C1-C4烷基和氢；X和X'分别选择氧、硫、单一共价键、—O—CO—、—CO—O—和—O—CO—O—；Y和Y'是间隔基，每个都独立地具有1至30个碳原子（线性或支链），其中碳链可以通过醚功能中的氧或硫醚功能中的硫来中断；Z和Z'分别选择氧、硫、单一共价键、—O—CO—、—CO—O—和—O—CO—O—；M是任何适当的介向基团。此外，还提供了含有一个或多个I式化合物的组合物，以及制备所述化合物和组合物的方法。这些化合物和组合物在聚合时显示出优异的特性，例如改善的不收缩性能，并且在各种应用中有用，特别是在液晶装置、传感器和光学精密仪器中。
• Photopolymerizable oxetane derivative and liquid-crystal composition containing it
  申请人：Syundo Ryushi

  公开号：US20050224757A1

  公开（公告）日：2005-10-13

  Provided are a liquid-crystal compound and a liquid-crystal composition containing the compound, of which the advantages are that they show nematic hybrid orientation on a rubbed TAC substrate, they are polymerizable in open air and they readily give a polymer having a high degree of polymerization even when exposed to a relatively small total quantity of light. The films formed by photopolymerizing them keep nematic hybrid orientation. The compound is represented by formula (1): wherein R 1 is a hydrogen or an alkyl; R 2 is a hydrogen, —OCF 3 , etc.; A 1 is a 1,4-phenylene, etc.; A 2 and A 3 are independently a 1,4-cyclohexylene, a 1,4-phenylene, etc.; X 1 is a single bond, —O—, etc.; X 2 and X 3 are independently a single bond, —COO—, —C≡C—, —CONH—, etc.; m is an integer of from 0 to 20; and n is 1 or 0.

  提供了一种液晶化合物和含有该化合物的液晶组合物，其优点是它们在擦拭的TAC基板上显示出向列杂向，它们可以在空气中聚合，并且即使暴露在相对较小的总光量下，它们也能很容易地形成高度聚合的聚合物。通过光聚合它们形成的薄膜保持向列杂向。该化合物由式（1）表示：其中R1为氢或烷基；R2为氢，—OCF3等；A1为1,4-苯撑等；A2和A3独立地为1,4-环己撑，1,4-苯撑等；X1为单键，—O—等；X2和X3独立地为单键，—COO—，—C≡C—，—CONH—等；m为0至20的整数；n为1或0。
• Tetrahydroxybenzene tetraester derivative and polymer thereof
  申请人：Shundo Ryushi

  公开号：US20060180791A1

  公开（公告）日：2006-08-17

  The invention includes compounds represented by Formula (1): wherein R 1 is an alkyl having 1 to 20 carbon atoms; A 1 and A 2 are a 1,4-cyclohexylene or 1,4-phenylene; X is a single bond, —C≡C—, —COO—, —OCO—, —CH═CH—COO— or —OCO—CH═CH—; P is an alkylene having 1 to 20 carbon atoms; and p and q are 0, 1 or 2.

  该发明包括以下式子所表示的化合物：其中，R1是具有1至20个碳原子的烷基；A1和A2是1,4-环己基或1,4-苯基；X是单键，—C≡C—，—COO—，—OCO—，—CH═CH—COO—或—OCO—CH═CH—；P是具有1至20个碳原子的烷基；p和q为0、1或2。
• Fluorene derivatives and polymers thereof
  申请人：Shundo Ryushi

  公开号：US20060006364A1

  公开（公告）日：2006-01-12

  The compound (1) or (2), a composition containing the compound and a polymer obtained by polymerizing the composition. R 1 is fluorine, cyano, alkyl, and so forth; R 2 is hydrogen, alkyl, and so forth; R 3 and R 4 are independently hydrogen, fluorine, alkyl, and so forth; A is 1,4-cyclohexylene, 1,4-phenylene, and so forth; X is a single bond, —COO—, —OCO—, and so forth; P is alkylene and so forth; m and n are independently 0, 1 or 2.

  化合物（1）或（2），一种含有该化合物的组合物和通过聚合该组合物获得的聚合物。其中，R1为氟、氰、烷基等；R2为氢、烷基等；R3和R4分别独立地为氢、氟、烷基等；A为1,4-环己基、1,4-苯基等；X为单键、—COO—、—OCO—等；P为烷基等；m和n分别独立地为0、1或2。
• Photo-curable fluorene derivative and composition containing the same
  申请人：Shundo Ryushi

  公开号：US20050031801A1

  公开（公告）日：2005-02-10

  The present invention provides a compound represented by formula (1) defined in the specification. The invention further provides a liquid crystal composition comprising at least two compounds, which at least one compound out of them is the above compound. The invention still further provides a polymer obtained by polymerizing the above composition, and uses of the polymer such as a molded article having an optical anisotropy, an optical compensation element, a wavelength functional plate, an optical element, and a liquid crystal display element comprising the polymer.

  本发明提供了一种由规范中定义的公式（1）表示的化合物。本发明还提供了一种液晶组合物，包括至少两种化合物，其中至少一种化合物是上述化合物。本发明还进一步提供了通过聚合上述组合物获得的聚合物，以及聚合物的用途，例如具有光学各向异性的成型物、光学补偿元件、波长功能板、光学元件和包括该聚合物的液晶显示元件。