N-(4-ethynylbenzoyl)alanine decyl ester | 854007-58-2

• 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: N-(4-ethynylbenzoyl)alanine decyl ester
• 英文别名: Decyl 2-[(4-ethynylbenzoyl)amino]propanoate；decyl 2-[(4-ethynylbenzoyl)amino]propanoate
• CAS: 854007-58-2
• 化学式: C₂₂H₃₁NO₃
• 分子量: 357.493
• InChiKey: GHARZMWIQAWBNX-UHFFFAOYSA-N

物化性质

• 沸点：
  496.4±30.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  26
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  癸醇 在 1-羟基苯并三唑一水物 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 5.0h， 生成 N-(4-ethynylbenzoyl)alanine decyl ester
  参考文献：
  名称：

  Well-Defined Lyotropic Liquid Crystalline Properties of Rigid-Rod Helical Polyacetylenes

  摘要：

  DOI：

  10.1021/ma0503312

文献信息

• NOVEL POLYACETYLENE DERIVATIVES
  申请人：Japan Science and Technology Agency

  公开号：EP1795545A1

  公开（公告）日：2007-06-13

  Novel optically active polyacetylene derivatives exhibiting liquid crystallinity; liquid crystal compositions containing the derivatives; and moldings thereof. Specifically, polyacetylene derivatives which have helical structure of rigid- rod shape and which exhibit a liquid crystal phase either in a solvent containing an organic solvent as the main component or in a molten state as well as electric field orientation; liquid crystal compositions containing the derivatives; and moldings thereof. More specifically, polyacetylene derivatives having helical structure of rigid-rod shape as represented by the general formula [1]; liquid crystal compositions containing the derivatives; and moldings thereof: wherein R1 and R2 are each independently aminocarbonyl of an amino acid having an ester linkage with C2-22 alkyl or carbonylamino of an amino acid having an amide linkage with C2-22 alkyl, the amino acid being achiral one, or chiral one of (S)- or (R)-configuration, or a racemic mixture composed of both antipodes; and X is a number satisfying the relationship: 0 < X ≤ 1.

  具有液晶特性的新型光学活性聚乙炔衍生物；含有该衍生物的液晶组合物；及其模塑件。具体而言，具有硬棒形状螺旋结构的聚乙炔衍生物，其在以有机溶剂为主要成分的溶剂中或在熔融状态下均呈现液晶相，并具有电场取向性；含有该衍生物的液晶组合物；及其模制品。更具体地说，具有通式[1]表示的硬棒状螺旋结构的聚乙炔衍生物；含有该衍生物的液晶组合物；以及其模塑物：其中 R1 和 R2 各自独立地是具有与 C2-22 烷基的酯连接的氨基酸的氨基羰基，或具有与 C2-22 烷基的酰胺连接的氨基酸的羰基氨基，该氨基酸是非手性的，或(S)-或(R)-构型的手性的，或由两个反式组成的外消旋混合物；X 是满足以下关系的数字：0 < X ≤ 1.
• Novel Polyacetylene Derivatives
  申请人：Okoshi Kento

  公开号：US20070260028A1

  公开（公告）日：2007-11-08

  Novel optically active polyacetylene derivatives exhibiting liquid crystallinity; liquid crystal compositions containing the derivatives; and moldings thereof. Specifically, polyacetylene derivatives which have helical structure of rigid-rod shape and which exhibit a liquid crystal phase either in a solvent containing an organic solvent as the main component or in a molten state as well as electric field orientation; liquid crystal compositions containing the derivatives; and moldings thereof. More specifically, polyacetylene derivatives having helical structure of rigid-rod shape as represented by the general formula [1]; liquid crystal compositions containing the derivatives; and moldings thereof: wherein R 1 and R 2 are each independently aminocarbonyl of an amino acid having an ester linkage with C 2-22 alkyl or carbonylamino of an amino acid having an amide linkage with C 2-22 alkyl, the amino acid being achiral one, or chiral one of (S)- or (R)-configuration, or a racemic mixture composed of both antipodes; and X is a number satisfying the relationship: 0
• US7691291B2
  申请人：——

  公开号：US7691291B2

  公开（公告）日：2010-04-06
• Well-Defined Lyotropic Liquid Crystalline Properties of Rigid-Rod Helical Polyacetylenes
  作者：Kento Okoshi、Koichi Sakajiri、Jiro Kumaki、Eiji Yashima

  DOI：10.1021/ma0503312

  日期：2005.5.1