4-[4-(3-ethyloxetane-3-ylmethoxy)butyloxy]benzoic acid | 503474-64-4

• 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-[4-(3-ethyloxetane-3-ylmethoxy)butyloxy]benzoic acid
• 英文别名: 4-[7-(3-ethyl-3-oxetanyl)-1,6-dioxaheptyl]benzoic acid；4-[4-[(3-Ethyl-3-oxetanyl)methoxy]butoxy]benzoic acid；4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoic acid
• CAS: 503474-64-4
• 化学式: C₁₇H₂₄O₅
• 分子量: 308.375
• InChiKey: BVJKQNLKZJSEJV-UHFFFAOYSA-N

物化性质

• 熔点：
  78 °C
• 沸点：
  458.8±25.0 °C(Predicted)
• 密度：
  1.132±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 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-[4-(3-ethyloxetane-3-ylmethoxy)butyloxy]benzoic acid 、 甲基氢醌 在 甲基磺酰氯 、 硝基苯 、 N,N-二异丙基乙胺 、 4-二甲氨基吡啶 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以83%的产率得到
  参考文献：
  名称：

  LIQUID-CRYSTALLINE OXETANE COMPOUND, POLYMERIZABLE LIQUID-CRYSTALLINE COMPOSITION, PROCESS FOR PRODUCING LIQUID-CRYSTAL FILM, OPTICAL FILM, AND LIQUID-CRYSTAL DISPLAY

  摘要：

  公开号：

  EP1428823B1
• 作为产物：
  描述：

  Ethyl 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate 在 甲醇 、 sodium hydroxide 、 水 、 盐酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 4-[4-(3-ethyloxetane-3-ylmethoxy)butyloxy]benzoic acid
  参考文献：
  名称：

  DIOXETANE COMPOUND, CATIONICALLY POLYMERIZABLE COMPOSITION, OPTICAL FILM AND LIQUID CRYSTAL DISPLAY UNIT

  摘要：

  公开号：

  EP1990339B1

文献信息

• 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。
• Liquid crystalline oxetane compound, polymerizable liquid crystalline composition, method for producing liquid crystal film, optical film, and liquid crystal display
  申请人：Nippon Oil Corporation

  公开号：US20040173773A1

  公开（公告）日：2004-09-09

  A novel liquid crystalline compound by the formula: Z 1 -(CH 2 ) n -L 1 -P 1 -L 2 -P 2 -L 3 -P 3 -L 4 -(CH 2 ) m -Z 2 (1) wherein Z 1 and Z 2 are each independently a group represented by any one of formulas (2), (3) and (4) below, L 1 , L 2 , L 3 , and L 4 each independently indicate direct bond or are a group represented by any of —O—, —O—CO—, or —CO—O—, P 1 and P 2 are each independently a group represented by formula (5) below, and P 3 indicates direct bond or is a group represented by formula (5) below, n and m are each independently an integer of 0 to 8; 1 wherein X is selected from the group consisting of hydrogen, methyl, or halogen and provides an optical film with an excellent capability of retaining the aligned liquid crystal orientation which has been fixed and in mechanical strength.

  一种新的液晶化合物，其化学式为：Z1-(CH2)n-L1-P1-L2-P2-L3-P3-L4-(CH2)m-Z2(1)，其中Z1和Z2各自独立地表示以下任一式子中的一种基团：(2)、(3)和(4)，L1、L2、L3和L4各自独立地表示直接键或者是由—O—、—O—CO—或者—CO—O—表示的基团，P1和P2各自独立地表示式子(5)中表示的基团，P3表示直接键或者是式子(5)中表示的基团，n和m各自独立地表示0到8之间的整数；其中X从氢、甲基或卤素中选择，提供了一种具有优异的保持定向液晶取向并具有机械强度的光学薄膜。