(4-((1-decyloxycarbonyl-1-methylethyl)carbamoyl)phenyl)acetylene | 959760-78-2

• 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: (4-((1-decyloxycarbonyl-1-methylethyl)carbamoyl)phenyl)acetylene
• 英文别名: Decyl 2-[(4-ethynylbenzoyl)amino]-2-methylpropanoate
• CAS: 959760-78-2
• 化学式: C₂₃H₃₃NO₃
• 分子量: 371.52
• InChiKey: RTYSADJRXFXTDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  27
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  2-aminoisobutyric acid decyl ester 、 4-乙炔基苯甲酸 在 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 14.0h， 以80%的产率得到(4-((1-decyloxycarbonyl-1-methylethyl)carbamoyl)phenyl)acetylene
  参考文献：
  名称：

  在石墨上具有非手性侧基的动态螺旋聚苯乙炔的二维螺旋束形成。

  摘要：

  DOI：

  10.1002/anie.200701546

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