2-(ethoxycarbonylmethyl)-2-butylmalononitrile | 436848-49-6

• 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-(ethoxycarbonylmethyl)-2-butylmalononitrile
• 英文别名: Heptanoic acid, 3,3-dicyano-, ethyl ester；ethyl 3,3-dicyanoheptanoate
• CAS: 436848-49-6
• 化学式: C₁₁H₁₆N₂O₂
• 分子量: 208.26
• InChiKey: GZKCVKHURPGBGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  73.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-乙氧基-1-(苯基)甲氧基乙烯 、 2-Butyl-2-phenylselanylpropanedinitrile 以 氯仿 为溶剂， 以69%的产率得到2-(ethoxycarbonylmethyl)-2-butylmalononitrile
  参考文献：
  名称：

  酮和酯的一锅自由基加成/分解路线

  摘要：

  已经开发出一种简单的一锅法，该方法将通过自由基加成到取代的烯醇醚或乙烯酮缩醛中而形成碳-碳键，然后进行裂解反应，生成酮和酯。在这项工作中发现的“被掩盖的”甲基羰基自由基受体可以商购获得，也可以一到两个步骤轻松制备。

  DOI：

  10.1016/s0040-4039(02)00169-7

文献信息

• [EN] MALONONITRILE COMPOUND AND USE THEREOF AS PESTICIDES<br/>[FR] COMPOSE DE MALONONITRILE ET SON UTILISATION COMME PESTICIDE
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2004020399A1

  公开（公告）日：2004-03-11

  The present invention relates to a novel malononitrile compound represented by the formula (A): wherein, R1 represents C1 to C6 alkyl that may be substituted with halogen, C2 to C6 alkenyl that may be substituted with halogen, etc; R2 represents hydrogen atom or C1 to C6 alkyl that may be substituted with halogen; R3 represents hydrogen atom or C1 to C6 alkyl; R4 represents hydrogen atom or C1 to C6 alkyl; R5 represents C1 to C6 alkyl that may be substituted with halogen, C3 to C6 alkenyl that may be substituted with halogen, etc , or R4 and R5 may be combined at their terminal and represent ethylene that may be substituted with C1 to C3 alkyl or trimethylene that may be substituted with C1 to C3 alkyl; and Z1 and Z2, which are the same or different, represent oxygen atom or sulfur atom. The malononitrile compound has an efficient pesticidal activity and can control effectively pests such as insect pests, acarine pests, nematode pests and the like.

  本发明涉及一种由式（A）表示的新型马隆二腈化合物：其中，R1代表可以用卤素取代的C1到C6烷基，可以用卤素取代的C2到C6烯基等；R2代表氢原子或可以用卤素取代的C1到C6烷基；R3代表氢原子或C1到C6烷基；R4代表氢原子或C1到C6烷基；R5代表可以用卤素取代的C1到C6烷基，可以用卤素取代的C3到C6烯基等，或者R4和R5可以在它们的末端结合并表示可以用C1到C3烷基取代的乙烯或可以用C1到C3烷基取代的三亚甲基；Z1和Z2，相同或不同，表示氧原子或硫原子。该马隆二腈化合物具有高效的杀虫活性，可以有效控制昆虫害、螨虫害、线虫害等害虫。
• Malononitrile compound and use thereof pesticides
  申请人：Okada Satoshi

  公开号：US20060004092A1

  公开（公告）日：2006-01-05

  The present invention relates to a novel malononitrile compound represented by the formula (A): wherein, R 1 represents C1 to C6 alkyl that may be substituted with halogen, C2 to C6 alkenyl that may be substituted with halogen, etc; R 2 represents hydrogen atom or C1 to C6 alkyl that may be substituted with halogen; R 3 represents hydrogen atom or C1 to C6 alkyl; R 4 represents hydrogen atom or C1 to C6 alkyl; R 5 represents C1 to C6 alkyl that may be substituted with halogen, C3 to C6 alkenyl that may be substituted with halogen, etc, or R 4 and R 5 may be combined at their terminal and represent ethylene that may be substituted with C1 to C3 alkyl or trimethylene that may be substituted with C1 to C3 alkyl; and Z 1 and Z 2 , which are the same or different, represent oxygen atom or sulfur atom. The malononitrile compound has an efficient pesticidal activity and can control effectively pests such as insect pests, acarine pests, nematode pests and the like.

  本发明涉及一种新的马隆腈化合物，其表示为公式（A）：其中，R1表示C1到C6的烷基，可以被卤素取代，C2到C6的烯基，可以被卤素取代等；R2表示氢原子或C1到C6的烷基，可以被卤素取代；R3表示氢原子或C1到C6的烷基；R4表示氢原子或C1到C6的烷基；R5表示C1到C6的烷基，可以被卤素取代，C3到C6的烯基，可以被卤素取代等，或者R4和R5可以在它们的末端结合，并且表示可以被C1到C3的烷基取代的乙烯或可以被C1到C3的烷基取代的三亚甲基；Z1和Z2相同或不同，表示氧原子或硫原子。该马隆腈化合物具有高效的杀虫活性，并且可以有效地控制昆虫害虫、螨虫害虫、线虫害虫等。
• US7439266B2
  申请人：——

  公开号：US7439266B2

  公开（公告）日：2008-10-21
• A one-pot radical addition/fragmentation route to ketones and esters
  作者：Michael G Roepel

  DOI：10.1016/s0040-4039(02)00169-7

  日期：2002.3

  A simple one-pot procedure has been developed that combines carboncarbon bond formation via a radical addition to either substituted enol ethers or ketene acetals, with a subsequent fragmentation reaction to yield ketones and esters. The ‘masked’ methyl carbonyl radical acceptors discovered in this work are either commercially available or easily prepared in one to two steps.

  已经开发出一种简单的一锅法，该方法将通过自由基加成到取代的烯醇醚或乙烯酮缩醛中而形成碳-碳键，然后进行裂解反应，生成酮和酯。在这项工作中发现的“被掩盖的”甲基羰基自由基受体可以商购获得，也可以一到两个步骤轻松制备。