Diethyl 2,2-bis(undec-10-enyl)propanedioate | 773878-38-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Diethyl 2,2-bis(undec-10-enyl)propanedioate
• CAS: 773878-38-9
• 化学式: C₂₉H₅₂O₄
• 分子量: 464.729
• InChiKey: PFWSGDGJVJVJJF-UHFFFAOYSA-N

物化性质

• 沸点：
  508.9±23.0 °C(Predicted)
• 密度：
  0.921±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  33
• 可旋转键数：
  26
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Diethyl 2,2-bis(undec-10-enyl)propanedioate 在 4-二甲氨基吡啶 、 lithium aluminium tetrahydride 、 ammonium hexafluorophosphate 、 四溴化碳 、 水 、 三苯基膦 、 potassium hydroxide 、 萘烷 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of Precision Ionic Polyolefins Derived from Ionic Liquids

  摘要：

  DOI：

  10.1021/ma9024174
• 作为产物：
  描述：

  10-十一烯-1-醇 在 吡啶 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 Diethyl 2,2-bis(undec-10-enyl)propanedioate
  参考文献：
  名称：

  Synthesis of Precision Ionic Polyolefins Derived from Ionic Liquids

  摘要：

  DOI：

  10.1021/ma9024174

文献信息

• Local and Collective Motions in Precise Polyolefins with Alkyl Branches: A Combination of²H and¹³C Solid-State NMR Spectroscopy
  作者：Yuying Wei、Robert Graf、John C. Sworen、Chi-Yuan Cheng、Clifford R. Bowers、Kenneth B. Wagener、Hans Wolfgang Spiess

  DOI：10.1002/anie.200900377

  日期：2009.6.8

  has a pronounced effect on processability and drawability. Regularly branched model polyolefins were studied by advanced solid‐state NMR spectroscopy, and twist defects around the branches in the crystalline regions are identified. For lower branch content, the twisting motions are decoupled; for higher content, collective motion is found (see picture).

  分支：线性聚合物的迁移率在分支时发生变化，这对可加工性和可拉伸性具有显着影响。通过先进的固态NMR光谱研究了规则支化的模型聚烯烃，并鉴定了结晶区域分支周围的扭曲缺陷。对于较低的分支含量，扭转运动是解耦的。对于更高的内容，可以找到集体运动（参见图片）。
• ADMET Synthesis of Polyolefins Targeted for Biological Applications
  作者：Timothy E. Hopkins、Kenneth B. Wagener

  DOI：10.1021/ma035289u

  日期：2004.2.1

  A series of "N-terminus" amino acid and peptide branched, chiral polyolefins, termed bioolefins, have been prepared using acyclic diene metathesis (ADMET) polycondensation chemistry, using a minimal amount of solvent and Grubbs' second generation catalyst. The carboxylic acid functional groups were protected with methyl, benzyl, and tert-butyl esters to enhance both the polymerizability of the monomers themselves and the solubility of the resulting polymers. A number of these polymers are semicrystalline, exhibiting melt transitions of up to 132 and 74 degreesC for the amino acid and dipeptide branched polymers, respectively. Adding a succinic acid spacer between the amino acid entity and the polymer backbone alters the melting behavior of the polymer, increasing the peak melting point by 27 degreesC when compared to a polymer having the same amino acid directly attached to the polymer backbone.
• Modeling Branched Polyethylene:  Copolymers Possessing Precisely Placed Ethyl Branches
  作者：John C. Sworen、Jason A. Smith、Jessica M. Berg、Kenneth B. Wagener

  DOI：10.1021/ja047850p

  日期：2004.9.1

  A structural investigation of precise ethylene/1-butene (EB) copolymers has been completed using step polymerization chemistry. The synthetic methodology needed to generate four model copolymers is described; their primary and higher level structure is characterized. The copolymers possess an ethyl branch on every 9th, 15th, and 21st carbon along the backbone of linear polyethylene. Melting points and heats of fusion decrease with increased branch frequency. Differential scanning calorimetry and infrared spectroscopy show highly disordered crystal structures favoring ethyl branch inclusion. On the other hand, the EB copolymers contain high concentrations of kink and gauche defects independent of branch frequency. These model copolymers are compared with random copolymers produced using traditional chain chemistry and previously synthesized ADMET EP copolymers.