ethyl 2-acetyl-2-(4-pentenyl)-hept-6-en-oate | 205243-52-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: ethyl 2-acetyl-2-(4-pentenyl)-hept-6-en-oate
• 英文别名: ethyl 2-acetyl-2-pent-4-enylhept-6-enoate
• CAS: 205243-52-3
• 化学式: C₁₆H₂₆O₃
• 分子量: 266.381
• InChiKey: SDULQQCVDMUYOG-UHFFFAOYSA-N

物化性质

• 沸点：
  131-133 °C(Press: 0.5 Torr)
• 密度：
  0.939±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.84
• 重原子数：
  19.0
• 可旋转键数：
  11.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-acetyl-2-(4-pentenyl)-hept-6-en-oate 在 吡啶 、 lithium aluminium tetrahydride 、 二甲基亚砜 、 lithium chloride 作用下， 以 乙醚 、 氯仿 为溶剂， 反应 174.0h， 生成 toluene-4-sulfonic acid 1-methyl-2-pent-4-enyl-hept-6-enyl ester
  参考文献：
  名称：

  Modeling Branched Polyethylene:  Copolymers Possessing Precisely Placed Ethyl Branches

  摘要：

  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.

  DOI：

  10.1021/ja047850p
• 作为产物：
  描述：

  乙酰乙酸乙酯 、 5-溴-1-戊烯 在 potassium tert-butylate 作用下， 以72.3%的产率得到ethyl 2-acetyl-2-(4-pentenyl)-hept-6-en-oate
  参考文献：
  名称：

  Modeling Branched Polyethylene:  Copolymers Possessing Precisely Placed Ethyl Branches

  摘要：

  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.

  DOI：

  10.1021/ja047850p

文献信息

• Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives via Ring-Closing Metathesis
  作者：Sambasivarao Kotha、Mukesh Shirbhate

  DOI：10.1055/s-0032-1317020

  日期：——

  A short synthetic approach to the macrocyclic framework of longithorone C is described via ring-closing metathesis using the Grubbs 2nd generation catalyst.

  使用 Grubbs 第二代催化剂，通过闭环复分解反应描述了长环酮 C 大环骨架的简短合成方法。
• Kotha, Sambasivarao; Shirbhate, Mukesh E., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2015, vol. 54B, # 12, p. 1483 - 1494
  作者：Kotha, Sambasivarao、Shirbhate, Mukesh E.

  DOI：——

  日期：——