2-allyl-2-(4-methoxybenzyl)malononitrile | 475196-82-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-allyl-2-(4-methoxybenzyl)malononitrile
• 英文别名: 2-Allyl-2-(4-methoxybenzyl)malononitrile；2-[(4-methoxyphenyl)methyl]-2-prop-2-enylpropanedinitrile
• CAS: 475196-82-8
• 化学式: C₁₄H₁₄N₂O
• 分子量: 226.278
• InChiKey: MZABAKLWSMOTSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  56.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2,3-dichlorobenzylidene)malononitrile 、 四氢呋喃 、 硼氢化钠 、 2-allyl-2-(4-methoxybenzyl)malononitrile 以 乙醇 为溶剂， 以there was obtained 3.07 g of (2,3-dichlorobenzyl)malononitrile (the intermediate (29))的产率得到[(2,3-dichlorophenyl)methyl]propanedinitrile
  参考文献：
  名称：

  Pesticide composition comprising malononitrile compounds

  摘要：

  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。

  公开号：

  US20040142821A1
• 作为产物：
  描述：

  4-甲氧基苯甲醛 在 2-[2-(二苯膦基)苯基]-4,5-二氢-4,4-二甲基噁唑 、 哌啶 、 palladium diacetate 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 24.08h， 生成 2-allyl-2-(4-methoxybenzyl)malononitrile
  参考文献：
  名称：

  多功能CuI / Pd0双催化合成季α-烯丙基化羰基化合物：进展，机理研究和范围。

  摘要：

  我们在此报告了一种基于Cu I / Pd 0系统的通用协同双重催化反应。机理研究表明，每个组分在确定反应结果中都起着至关重要的作用。反应成功地扩展到了各种底物上。例如α，β-不饱和酮，丙二酸酯和香豆素。该策略容许不同的取代模式，并为每个底物家族提供良好的产率。

  DOI：

  10.1002/chem.201404015

文献信息

• 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.
• Versatile Cu^I/Pd⁰Dual Catalysis for the Synthesis of Quaternary α-Allylated Carbonyl Compounds: Development, Mechanistic Investigations and Scope
  作者：Fady Nahra、Yohan Macé、Arnaud Boreux、Francois Billard、Olivier Riant

  DOI：10.1002/chem.201404015

  日期：2014.8.25

  We report herein a versatile cooperative dual catalysis reaction based on a CuI/Pd0 system. Mechanistic investigation shows that every component plays a crucial role in determining the reaction outcome. The reaction is successfully extended to various substrates; such as α,β‐unsaturated ketones, malonates and coumarins. The strategy tolerates different substitution patterns and affords good yields

  我们在此报告了一种基于Cu I / Pd 0系统的通用协同双重催化反应。机理研究表明，每个组分在确定反应结果中都起着至关重要的作用。反应成功地扩展到了各种底物上。例如α，β-不饱和酮，丙二酸酯和香豆素。该策略容许不同的取代模式，并为每个底物家族提供良好的产率。
• 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。