2-propargyl-2-(5-phenyl-2,4-pentadiynyl)propanedioic acid dimethyl ester | 1231185-63-9

• 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: 2-propargyl-2-(5-phenyl-2,4-pentadiynyl)propanedioic acid dimethyl ester
• 英文别名: 2-propargyl-2-(5-phenyl-2,4-pentadiynyl) dimethyl malonate；dimethyl 2-propargyl-2-(5-phenyl-2,4-pentadiynyl) malonate；Dimethyl 2-(5-phenylpenta-2,4-diynyl)-2-prop-2-ynylpropanedioate
• CAS: 1231185-63-9
• 化学式: C₁₉H₁₆O₄
• 分子量: 308.334
• InChiKey: JCWLRUIRJNOAJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.26
• 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：

  烯丙苯 、 2-propargyl-2-(5-phenyl-2,4-pentadiynyl)propanedioic acid dimethyl ester 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Initiation and Termination Mode of Enyne Cross-Metathesis and Metallotropic [1,3]-Shift Controlled by Remote Substituents

  摘要：

  The cross-metathesis of terminal alkyne and alkene using Ru-based Grubbs catalyst generally undergoes alpha-insertion. In this study, excellent control over alpha- and beta-insertion of ruthenium alkylidene into terminal alkynes has been achieved by using a substituent at a remote site from the reaction center. While the origin of this regioselectivity of insertion and metallotropic shift remains to be established, the trend indicates that the alpha-insertion with a concomitant metallotropic shift is favored with small substituents whereas the beta-insertion without a metallotropic shift is favored with bulky substituents such as tert-butyl and trialkyl silyl groups.

  DOI：

  10.1021/ja1020525

文献信息

• CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF
  申请人：Xiamen University

  公开号：US20180065908A1

  公开（公告）日：2018-03-08

  The present invention relates to fields of organic chemistry and organometallic chemistry. The present invention discloses a chain multiyne compound, a preparation method thereof and an application in synthesizing a fused-ring metallacyclic compound. A structure of the chain multiyne compound in the present invention is shown as Formula I below. The present invention also provides a preparation method of the chain multiyne compound and an application thereof in a synthesis of a fused-ring metallacyclic compound. The chain multiyne compound disclosed in the present invention has multiple functional groups and the structure of the chain multiyne compound is adjustable. The chain multiyne compound can also be used to synthesize the fused-ring metallacyclic compound efficiently. The preparation method of the chain multiyne compound disclosed in the present invention is simple, which can be used to prepare the chain multiyne compound rapidly and efficiently.

  本发明涉及有机化学和有机金属化学领域。本发明公开了一种链状多炔化合物，其制备方法及在合成融环金属环化合物中的应用。本发明中的链状多炔化合物的结构如下式I所示。本发明还提供了链状多炔化合物的制备方法及其在合成融环金属环化合物中的应用。本发明公开的链状多炔化合物具有多个功能基团，其结构可调整。链状多炔化合物还可用于高效合成融环金属环化合物。本发明公开的链状多炔化合物的制备方法简单，可用于快速高效地制备链状多炔化合物。
• Chain multiyne compound, preparation method and application thereof
  申请人：Xiamen University

  公开号：US10287225B2

  公开（公告）日：2019-05-14

  The present invention relates to fields of organic chemistry and organometallic chemistry. The present invention discloses a chain multiyne compound, a preparation method thereof and an application in synthesizing a fused-ring metallacyclic compound. A structure of the chain multiyne compound in the present invention is shown as Formula I below. The present invention also provides a preparation method of the chain multiyne compound and an application thereof in a synthesis of a fused-ring metallacyclic compound. The chain multiyne compound disclosed in the present invention has multiple functional groups and the structure of the chain multiyne compound is adjustable. The chain multiyne compound can also be used to synthesize the fused-ring metallacyclic compound efficiently. The preparation method of the chain multiyne compound disclosed in the present invention is simple, which can be used to prepare the chain multiyne compound rapidly and efficiently.

  本发明涉及有机化学和有机金属化学领域。本发明公开了一种链状多炔化合物、其制备方法以及在合成熔环茂金属化合物中的应用。本发明中链多炔化合物的结构如下式 I 所示。本发明还提供了链式多炔化合物的制备方法及其在合成熔环茂金属环化合物中的应用。本发明公开的链式多炔化合物具有多个官能团，且链式多炔化合物的结构可调。该链多炔化合物还可用于高效合成熔环茂金属环化合物。本发明公开的链式多炔化合物的制备方法简单，可用于快速高效地制备链式多炔化合物。