ethyl 4-cyanoheptanoate | 1116-81-0

• 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: ethyl 4-cyanoheptanoate
• 英文别名: 4-cyano-heptanoic acid ethyl ester；4-Cyan-heptansaeure-aethylester；Ethyl 4-cyanoheptanoate
• CAS: 1116-81-0
• 化学式: C₁₀H₁₇NO₂
• 分子量: 183.25
• InChiKey: VXUVIDUUWZLKJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-cyano-2-propyl-glutaric acid diethyl ester 在 氢氧化钾 作用下， 生成 ethyl 4-cyanoheptanoate
  参考文献：
  名称：

  Osugi, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1958, vol. 78, p. 1318,1322

  摘要：

  DOI：

文献信息

• Template Catalysis by Metal–Ligand Cooperation. C–C Bond Formation via Conjugate Addition of Non-activated Nitriles under Mild, Base-free Conditions Catalyzed by a Manganese Pincer Complex
  作者：Alexander Nerush、Matthias Vogt、Urs Gellrich、Gregory Leitus、Yehoshoa Ben-David、David Milstein

  DOI：10.1021/jacs.5b13208

  日期：2016.6.8

  The first example of a catalytic Michael addition reaction of non-activated aliphatic nitriles to α,β-unsaturated carbonyl compounds under mild, neutral conditions is reported. A new de-aromatized pyridine-based PNP pincer complex of the Earth-abundant, first-row transition metal manganese serves as the catalyst. The reaction tolerates a variety of nitriles and Michael acceptors with different steric

  报道了在温和、中性条件下非活化脂肪腈与 α,β-不饱和羰基化合物的催化迈克尔加成反应的第一个例子。地球丰富的第一排过渡金属锰的一种新的脱芳构化吡啶基 PNP 钳形配合物用作催化剂。该反应耐受具有不同空间特征和受体强度的各种腈和迈克尔受体。包括温度依赖性 NMR 光谱和 DFT 计算在内的机理研究表明，烷基腈的协同活化导致金属化腈亲核物质（α-氰基碳负离子类似物）的产生，是该机制的关键步骤。金属中心不直接参与催化键的形成，而是与配体合作，作为底物活化的模板。这种“模板催化”方法扩大了共轭加成反应的潜在供体范围。
• RADIALENE COMPOUNDS AND THEIR USE
  申请人：Zeika Olaf

  公开号：US20100102709A1

  公开（公告）日：2010-04-29

  The present invention relates to radialene compounds as well as to their use as doping agent for doping an organic semiconductive matrix material, as blocker material, as charge injection layer, as electrode material as well as organic semiconductor, as well as electronic components and organic semiconductive materials using them.

  本发明涉及辐二烯化合物，以及它们作为掺杂剂用于掺杂有机半导体基质材料，作为阻挡材料，作为电荷注入层，作为电极材料以及有机半导体，以及使用它们的电子元件和有机半导体材料。
• Radialene compounds and their use
  申请人：Novaled AG

  公开号：EP2180029A1

  公开（公告）日：2010-04-28

  The present invention relates to radialene compounds as well as to their use as doping agent for doping an organic semiconductive matrix material, as blocker material, as charge injection layer, as electrode material as well as organic semiconductor, as well as electronic components and organic semiconductive materials using them.

  本发明涉及辐射烯化合物及其作为掺杂剂在有机半导体基体材料、阻断材料、电荷注入层、电极材料和有机半导体中的应用，以及使用辐射烯化合物的电子元件和有机半导体材料。
• Diarylamino matrix material doped with a mesomeric radialene compound
  申请人：Novaled AG

  公开号：EP2684932A1

  公开（公告）日：2014-01-15

  The present invention relates to a doped organic semiconductive matrix material. In particular, the invention relates to a diarylamino matrix material doped with a mesomeric radialene (also called cyclopropane-1,2,3-triylidiene) compound.

  本发明涉及一种掺杂有机半导体基体材料。特别是，本发明涉及一种掺杂了中间体辐射烯（又称环丙烷-1,2,3-三亚甲基）化合物的二芳基氨基基体材料。
• DIARYLAMINO MATRIX MATERIAL DOPED WITH A MESOMERIC RADIALENE COMPOUND
  申请人：Hodogaya Chemical Co., Ltd.

  公开号：EP2684932B1

  公开（公告）日：2016-09-28