allyl 2,2-dimethyl-4-pentenoate | 1092695-29-8

• 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: allyl 2,2-dimethyl-4-pentenoate
• 英文别名: Prop-2-enyl 2,2-dimethylpent-4-enoate；prop-2-enyl 2,2-dimethylpent-4-enoate
• CAS: 1092695-29-8
• 化学式: C₁₀H₁₆O₂
• 分子量: 168.236
• InChiKey: WCYIYFAYUROQPX-UHFFFAOYSA-N

物化性质

• 沸点：
  189.4±9.0 °C(predicted)
• 密度：
  0.898±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  allyl 2,2-dimethyl-4-pentenoate 在 aluminum tris(2,6-diphenylphenoxide) 、 Hoveyda-Grubbs catalyst second generation 作用下， 以 二氯甲烷 为溶剂， 反应 8.25h， 以48%的产率得到2,2-dimethyl-4,5-dehydro ε-lactone
  参考文献：
  名称：

  Substrate Encapsulation: An Efficient Strategy for the RCM Synthesis of Unsaturated ϵ-Lactones

  摘要：

  A facile substrate-encapsulated RCM-based synthesis of 7-membered lactones is reported. Coordination of the alpha,omega-dienyl ester precursor to the bulky Lewis acid (LA) aluminum tris(2,6-diphenylphenoxide) (ATPH) provides a protective extended steric pocket to the olefin moieties, thereby favoring intramolecular RCM over intermolecular ADMET oligomerization. The LA-encapsulated esters undergo ring-closure in the presence of Ru-based olefin metathesis catalysts to give previously difficult-to-access 7-membered beta,gamma- and gamma,delta-unsaturated lactones in good yields.

  DOI：

  10.1021/ol8022227
• 作为产物：
  描述：

  2,2-dimethylpent-4-enoyl chloride 、 烯丙醇 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 allyl 2,2-dimethyl-4-pentenoate
  参考文献：
  名称：

  Substrate Encapsulation: An Efficient Strategy for the RCM Synthesis of Unsaturated ϵ-Lactones

  摘要：

  A facile substrate-encapsulated RCM-based synthesis of 7-membered lactones is reported. Coordination of the alpha,omega-dienyl ester precursor to the bulky Lewis acid (LA) aluminum tris(2,6-diphenylphenoxide) (ATPH) provides a protective extended steric pocket to the olefin moieties, thereby favoring intramolecular RCM over intermolecular ADMET oligomerization. The LA-encapsulated esters undergo ring-closure in the presence of Ru-based olefin metathesis catalysts to give previously difficult-to-access 7-membered beta,gamma- and gamma,delta-unsaturated lactones in good yields.

  DOI：

  10.1021/ol8022227

文献信息

• Polymer compositions comprising telomers and articles or parts using these compositions
  申请人：——

  公开号：US20040097625A1

  公开（公告）日：2004-05-20

  Composition comprising one or more polymers and one or more substances selected from telomers having a number average degree of telomerization of less than or equal to 8.0 (substances A) and optionally from substances such as diesters of phthalic acid or diesters of saturated aliphatic &agr;,&ohgr;-dicarboxylic acids (substances B), the weight of substance(s) A plus substance(s) B together relative to the weight of the composition being greater than 20%, on the one hand, and the weight of substance(s) A relative to the weight of substance(s) A plus substance(s) B together being greater than 20%, on the other hand. Articles or parts of articles manufactured using this composition.

  由一种或多种聚合物和一种或多种物质组成的组合物，这些物质选自端粒化数平均度小于或等于 8.0的端聚物（物质A）和可选的物质，如邻苯二甲酸二酯或饱和脂肪族二羧酸二酯（物质B），一方面，物质A和物质B加在一起的重量相对于组合物的重量大于20%，另一方面，物质A的重量相对于物质A和物质B加在一起的重量大于20%。使用本组合物制造的物品或物品部件。
• POLYMER COMPOSITIONS COMPRISING TELOMERS AND ARTICLES OR PARTS USING THESE COMPOSITIONS
  申请人：SOLVAY (SOCIETE ANONYME)

  公开号：EP1368422B1

  公开（公告）日：2005-08-24
• US7019068B2
  申请人：——

  公开号：US7019068B2

  公开（公告）日：2006-03-28
• [EN] POLYMER COMPOSITIONS COMPRISING TELOMERS AND ARTICLES OR PARTS USING THESE COMPOSITIONS<br/>[FR] COMPOSITIONS POLYMERES COMPRENANT DES TELOMERES ET DES ARTICLES OU PARTIES D'ARTICLES FABRIQUES A L'AIDE DE CES COMPOSITIONS
  申请人：SOLVAY

  公开号：WO2002057351A1

  公开（公告）日：2002-07-25

  Composition comprising one or more polymers and one or more substances selected from telomers having a number average degree of telomerization of less than or equal to 8.0 (substances A) and optionally from substances such as diesters of phthalic acid or diesters of saturated aliphatic α,ω-dicarboxylic acids (substances B), the weight of substance(s) A plus substance(s) B together relative to the weight of the composition being greater than 20%, on the one hand, and the weight of substance(s) A relative to the weight of substance(s) A plus substance(s) B together being greater than 20%, on the other hand. Articles or parts of articles manufactured using this composition.
• Substrate Encapsulation: An Efficient Strategy for the RCM Synthesis of Unsaturated ϵ-Lactones
  作者：Emily B. Pentzer、Tendai Gadzikwa、SonBinh T. Nguyen

  DOI：10.1021/ol8022227

  日期：2008.12.18

  A facile substrate-encapsulated RCM-based synthesis of 7-membered lactones is reported. Coordination of the alpha,omega-dienyl ester precursor to the bulky Lewis acid (LA) aluminum tris(2,6-diphenylphenoxide) (ATPH) provides a protective extended steric pocket to the olefin moieties, thereby favoring intramolecular RCM over intermolecular ADMET oligomerization. The LA-encapsulated esters undergo ring-closure in the presence of Ru-based olefin metathesis catalysts to give previously difficult-to-access 7-membered beta,gamma- and gamma,delta-unsaturated lactones in good yields.