1-(p-Tolyl)-2,2-dicyan-penten-(4) | 21448-14-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(p-Tolyl)-2,2-dicyan-penten-(4)
• 英文别名: 2-[(4-Methylphenyl)methyl]-2-prop-2-enylpropanedinitrile
• CAS: 21448-14-6
• 化学式: C₁₄H₁₄N₂
• 分子量: 210.279
• InChiKey: BSKFCCZRQCVGEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙酸烯丙酯 、 2-(4-甲基亚苄基)-丙二腈 在 1,3-双(二苯基膦)丙烷 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 三正丁基氢锡 作用下， 以 四氢呋喃 为溶剂， 反应 7.0h， 以97%的产率得到1-(p-Tolyl)-2,2-dicyan-penten-(4)
  参考文献：
  名称：

  Catalytic and highly regiospecific carbon–carbon bond formation at α-position of Michael acceptor by palladium complex

  摘要：

  活化烯烃与乙酸烯丙酯和 Bu3SnH 在催化量的钯催化剂存在下发生反应，生成相应的产物，这些产物可选择性地在迈克尔受体的 δ 位构建新的 CâC 键。

  DOI：

  10.1039/b201545p

文献信息

• Pesticide composition comprising malononitrile compounds
  申请人：——

  公开号：US20040142821A1

  公开（公告）日：2004-07-22

  The present invention relates to use of malononitrile compounds of formula (X): 1 wherein R 1 and R 2 are the same or different and independently C 1 -C 5 (halo)-alkyl, C 1 -C 5 (halo)alkyloxy, C 2 -C 5 (halo)alkenyl, C 2 -C 5 (halo)alkynyl, hydrogen, or cyano; R 3 and R 4 are the same or different and independently C 1 -C 10 alkyl, C 2 -C 10 alkenyl, C 2 -C 10 alkynyl, or hydrogen, or R 3 and R 4 are taken together to form C 2 -C 6 (halo)alkylene or C 4 -C 6 (halo)alkenylene; R 5 is halogen, cyano, nitro, C 1 -C 4 (halo)alkyl, or the like; n is an integer of 0 to 4; R 6 is halogen, cyano, nitro, C 1 -C 4 (halo)alkyl, or the like; or R 5 and R 6 are taken together to form methylenedioxy; with the provisos that when R 6 is hydrogen, then n is an integer of 1 to 4 and that when n is 2 or more, then R 5 's are different from each other; as pesticides, and to pesticide compositions containing these compounds as active ingredients. The present invention makes it possible to effectively control pests such as insect pests, acarine pests, and nematode pests.

  本发明涉及使用式（X）的丙二腈化合物：其中R1和R2相同或不同且独立地为C1-C5（卤）烷基，C1-C5（卤）烷氧基，C2-C5（卤）烯基，C2-C5（卤）炔基，氢或氰基；R3和R4相同或不同且独立地为C1-C10烷基，C2-C10烯基，C2-C10炔基或氢，或者R3和R4结合形成C2-C6（卤）烷基或C4-C6（卤）烯基；R5为卤素，氰基，硝基，C1-C4（卤）烷基或类似物；n为0至4的整数；R6为卤素，氰基，硝基，C1-C4（卤）烷基或类似物；或者R5和R6结合形成亚甲二氧基；但当R6为氢时，n为1至4的整数，且当n为2或更多时，R5不相同；作为杀虫剂，以及含有这些化合物作为活性成分的杀虫剂组合物。本发明使得能够有效地控制害虫，例如昆虫害虫，螨虫害虫和线虫害虫。
• Sommer,R. et al., Justus Liebigs Annalen der Chemie, 1968, vol. 718, p. 11 - 23
  作者：Sommer,R. et al.

  DOI：——

  日期：——
• EP1385377A1
  申请人：——

  公开号：EP1385377A1

  公开（公告）日：2004-02-04
• [EN] PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS<br/>[FR] COMPOSITION PESTICIDE COMPRENANT DES COMPOSES DE MALONONITRILE
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2002089579A1

  公开（公告）日：2002-11-14

  The present invention relates to use of malononitrile compounds of formula (X): wherein R1 and R2 are the same or different and independently C1-C5 (halo)alkyl, C1-C5 (halo)alkyloxy, C2-C5 (halo)alkenyl, C2-C5 (halo)alkynyl, hydrogen, or cyano; R¿3? and R4 are the same or different and independently C?1-C10¿ alkyl, C2-C10 alkenyl, C2-C10 alkynyl, or hydrogen, or R¿3? and R4 are taken together to form C?2-C6¿ (halo)alkylene or C4-C6 (halo)alkenylene; R¿5? is halogen, cyano, nitro, C?1-C4¿ (halo)alkyl, or the like; n is an integer of 0 to 4; R¿6? is halogen, cyano, nitro, C?1-C4¿ (halo)alkyl, or the like; or R¿5? and R6 are taken together to form methylenedioxy; with the provisos that when R6 is hydrogen, then n is an integer of 1 to 4 and that when n is 2 or more, then R5's are different from each other; as pesticides, and to pesticide compositions containing these compounds as active ingredients. The present invention makes it possible to effectively control pests such as insect pests, acarine pests, and nematode pests.
• Catalytic and highly regiospecific carbon–carbon bond formation at α-position of Michael acceptor by palladium complex
  作者：Jae-Goo Shim、Jong Chul Park、Chan Sik Cho、Sang Chul Shim、Yoshinori Yamamoto

  DOI：10.1039/b201545p

  日期：2002.4.11

  Activated olefins react with allyl acetates and Bu3SnH in the presence of a catalytic amount of a palladium catalyst to afford the corresponding products which construct a new C–C bond selectively at the α-position of Michael acceptors.

  活化烯烃与乙酸烯丙酯和 Bu3SnH 在催化量的钯催化剂存在下发生反应，生成相应的产物，这些产物可选择性地在迈克尔受体的 δ 位构建新的 CâC 键。