4-ethynylbenzoyl-L-valine decyl ester | 1401506-07-7

• 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-ethynylbenzoyl-L-valine decyl ester
• 英文别名: decyl (2S)-2-[(4-ethynylbenzoyl)amino]-3-methylbutanoate
• CAS: 1401506-07-7
• 化学式: C₂₄H₃₅NO₃
• 分子量: 385.547
• InChiKey: XYGRTNPWXGQORC-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  28
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 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：

  ethyl 4-(trimethylsilylethynyl)benzoate 在 水 、 N,N'-羰基二咪唑 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 14.0h， 生成 4-ethynylbenzoyl-L-valine decyl ester
  参考文献：
  名称：

  聚乙炔作为对映体不同的取向介质

  摘要：

  定向帮助：缬氨酸衍生聚乙炔引入作为对映体区分排列媒体。异樟脑醇（IPC）的两种对映异构体的F2耦合HSQC型NMR光谱显示较窄的线宽，可精确提取残留的偶极耦合（黑色等高线图：（+）-IPC在各向同性相中，蓝色：（-） -IPC在各向异性相，和红：（+） - IPC在各向异性相; Ĵ =偶合常数）。

  DOI：

  10.1002/anie.201201891

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
• Polyacetylenes as Enantiodifferentiating Alignment Media
  作者：Nils-Christopher Meyer、Alexis Krupp、Volker Schmidts、Christina M. Thiele、Michael Reggelin

  DOI：10.1002/anie.201201891

  日期：2012.8.13

  Orientation help: Valine‐derived polyacetylenes are introduced as enantiomer‐differentiating alignment media. The F2‐coupled HSQC‐type NMR spectra of both enantiomers of isopinocampheol (IPC) display narrow line widths allowing for the precise extraction of residual dipolar couplings (black contour plot: (+)‐IPC in an isotropic phase, blue: (−)‐IPC in an anisotropic phase, and red: (+)‐IPC in an anisotropic

  定向帮助：缬氨酸衍生聚乙炔引入作为对映体区分排列媒体。异樟脑醇（IPC）的两种对映异构体的F2耦合HSQC型NMR光谱显示较窄的线宽，可精确提取残留的偶极耦合（黑色等高线图：（+）-IPC在各向同性相中，蓝色：（-） -IPC在各向异性相，和红：（+） - IPC在各向异性相; Ĵ =偶合常数）。