1,3-bis(5-(4-(decyloxy)phenyl)-1H-pyrazol-3-yl)benzene | 1385138-14-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3-bis(5-(4-(decyloxy)phenyl)-1H-pyrazol-3-yl)benzene
• 英文别名: 5-(4-decoxyphenyl)-3-[3-[5-(4-decoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
• CAS: 1385138-14-6
• 化学式: C₄₄H₅₈N₄O₂
• 分子量: 674.97
• InChiKey: MHSYSQSSIUWFDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  50
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  75.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (2Z,2'Z)-1,1'-(1,3-phenylene)bis(3-(4-(decyloxy)phenyl)-3-hydroxyprop-2-en-1-one) 在 溶剂黄146 、 肼 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以52%的产率得到1,3-bis(5-(4-(decyloxy)phenyl)-1H-pyrazol-3-yl)benzene
  参考文献：
  名称：

  Hydrogen-bond-assisted supramolecular 1-D tape-like structures of mesogenic bis-pyrazoles

  摘要：

  Two new series of isomeric bis-pyrazoles 1a-b are prepared, characterized, and their mesomorphic properties investigated. These pyrazoyl derivatives were obtained from the condensation of alpha,beta-diketones 2a-b with hydrazine monohydrate in refluxing THF. Two single crystallographic structures of compounds mesogenic 1a (n = 14) and nonmesogenic 1b (n = 8) were determined by X-ray analysis. Both 1a-14 and 1b-8 crystallize in a triclinic space group P-1 and monoclinic C2/c group, respectively. An extended H-bonded structure was formed in both crystal lattices, giving a pseudo 1D-polymeric tape-like structure. Derivatives 1a exhibited smectic A/C mesophases, in contrast, derivatives 1b were all nonmesogenic. The difference in mesomorphic behavior was attributed to the between linear conformation and the coplanarity of the five rings over than in 1a. The correlation between the molecular structures and the mesomorphic properties is discussed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.060

文献信息

• Resin composition
  申请人：KONICA MINOLTA, INC.

  公开号：US10012777B2

  公开（公告）日：2018-07-03

  The present invention provides a resin composition capable of forming a film exhibiting a small humidity-dependent variation in optical values; a triazole compound to be incorporated into the resin composition; an optical film and an optical lens, each of which is prepared from the resin composition and exhibits a small humidity-dependent variation in optical values; and a polarizing plate, a circularly polarizing plate, and an image display device, each of which includes the optical film and exhibits excellent moisture resistance. The resin composition of the present invention contains a resin and a compound having a 5-membered or 6-membered aromatic hydrocarbon or heterocyclic ring, wherein the resin is a hygroscopic resin, the compound has at least three specific aromatic rings having a specific NICS value, and the specific aromatic rings are bonded to one another via a single bond or one or two atoms.

  本发明提供了一种能够形成薄膜的树脂组合物，其光学值随湿度的变化很小；一种三唑化合物，可掺入该树脂组合物中；一种光学薄膜和一种光学透镜，它们分别由该树脂组合物制备而成，其光学值随湿度的变化很小；以及一种偏光板、一种圆偏光板和一种图像显示装置，它们分别包括该光学薄膜，并具有优异的防潮性能。本发明的树脂组合物包含一种树脂和一种具有 5 元或 6 元芳香烃环或杂环的化合物，其中树脂是一种吸湿性树脂，化合物具有至少三个具有特定 NICS 值的特定芳香环，特定芳香环通过单键或一个或两个原子相互结合。
• RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE
  申请人：KONICA MINOLTA, INC.

  公开号：US20150338563A1

  公开（公告）日：2015-11-26

  The present invention provides a resin composition capable of forming a film exhibiting a small humidity-dependent variation in optical values; a triazole compound to be incorporated into the resin composition; an optical film and an optical lens, each of which is prepared from the resin composition and exhibits a small humidity-dependent variation in optical values; and a polarizing plate, a circularly polarizing plate, and an image display device, each of which includes the optical film and exhibits excellent moisture resistance. The resin composition of the present invention contains a resin and a compound having a 5-membered or 6-membered aromatic hydrocarbon or heterocyclic ring, wherein the resin is a hygroscopic resin, the compound has at least three specific aromatic rings having a specific NICS value, and the specific aromatic rings are bonded to one another via a single bond or one or two atoms.
• TRIAZOLE COMPOUND
  申请人：KONICA MINOLTA, INC.

  公开号：US20180203175A1

  公开（公告）日：2018-07-19

  A triazole compound having a structure represented by the following Formula (1.2): wherein Z represents a structure represented by the following Formula (1.2a), q is 2 or 3, and at least two structures Z bonded to the benzene ring of Formula (1.2) and are located in the ortho- or meta-position relative to each other: wherein R 10 represents a hydrogen atom, an alkyl group, or an alkoxy group, p represents an integer of 1 to 5, and * represents a position at which the structure is bonded to the benzene ring.