ethyl 2-[(2-nitrophenyl)methyl]buta-2,3-dienoate

• 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: ethyl 2-[(2-nitrophenyl)methyl]buta-2,3-dienoate
• 化学式: C₁₃H₁₃NO₄
• 分子量: 247.251
• InChiKey: ZWVWBRJEYKZXNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-[(2-nitrophenyl)methyl]buta-2,3-dienoate 、 N-叔丁基羟胺盐酸盐 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 0.17h， 以100%的产率得到2-tert-butyl-3-methyl-[(2-nitrophenyl)methyl]isoxazol-5-one
  参考文献：
  名称：

  ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT

  摘要：

  提供一种由以下式(1)表示的异氧代异噁唑啉-5-酮衍生物：其中R1代表C1-C6卤代烷基，R2到R4和X各代表一定的取代基或类似物；n代表1到4的整数，当n代表2到4的整数时，X可能互不相同，并提供一种以异氧代异噁唑啉-5-酮衍生物为活性成分的除草剂。

  公开号：

  US20200267985A1
• 作为产物：
  描述：

  2-硝基苄溴 在 N,N-二异丙基乙胺 作用下， 以 氯仿 为溶剂， 反应 6.5h， 生成 ethyl 2-[(2-nitrophenyl)methyl]buta-2,3-dienoate
  参考文献：
  名称：

  ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT

  摘要：

  提供一种由以下式(1)表示的异氧代异噁唑啉-5-酮衍生物：其中R1代表C1-C6卤代烷基，R2到R4和X各代表一定的取代基或类似物；n代表1到4的整数，当n代表2到4的整数时，X可能互不相同，并提供一种以异氧代异噁唑啉-5-酮衍生物为活性成分的除草剂。

  公开号：

  US20200267985A1

文献信息

• Isoxazolin-5-one derivative and herbicide containing same as active ingredient
  申请人：HOKKO CHEMICAL INDUSTRY CO., LTD.

  公开号：US11109593B2

  公开（公告）日：2021-09-07

  An isoxazolin-5-one derivative represented by the following (1): wherein R1 represents a C1-C6 haloalkyl group, and R2 to R4 and X each represents a certain substituent or the like; and n represents an integer of 1 to 4, wherein X's may be different from each other when n represents an integer of 2 to 4, and an herbicide containing the isoxazolin-5-one derivative as an active ingredient are provided.

  由以下(1)代表的异噁唑啉-5-酮衍生物： 其中 R1 代表 C1-C6 卤代烷基，R2 至 R4 和 X 分别代表某种取代基或类似基团；n 代表 1 至 4 的整数，其中当 n 代表 2 至 4 的整数时，X 可以彼此不同，本发明提供了含有该异噁唑啉-5-酮衍生物作为活性成分的除草剂。
• Multicomponent Cascade Cycloaddition Involving Tropone, Allenoate, and Isocyanide: A Rapid Access to a 7,6,5-Fused Tricyclic Skeleton
  作者：Shuanglong Jia、Shikuan Su、Chunju Li、Xueshun Jia、Jian Li

  DOI：10.1021/ol502656g

  日期：2014.11.7

  Multicomponent cascade cycloaddition of tropone, allenoate, and isocyanide has been disclosed. This method allows for the rapid construction of a highly unusual tricyclic skeleton in an efficient manner. The proposed transformation proceeds through [8 + 2 + 1] cycloaddition, [1,5]-H shift, and cyclization followed by an alkoxy group migration process.
• AlCl₃-Promoted Selective Michael Addition with Allenoate and Methyleneindolinone: Synthesis of Spirocyclic Oxindole by Using Allenoate as a Four-Carbon Component Building Block
  作者：Shibo Xu、Chunju Li、Xueshun Jia、Jian Li

  DOI：10.1021/jo502209f

  日期：2014.11.21

  The AlCl3-promoted cyclization of readily available allenoates with methyleneindolinone is disclosed. The present strategy provides a rapid access to spirocyclic oxindole-cyclohexenones in an efficient manner. Remarkably, the allenoate is implemented as a four-carbon (4C) component to form the ring, which shows high synthetic efficiency. Flexibility of this method allows quick synthesis of spirocyclic oxindole-dihydropyrans by varying one of the components. It is also noteworthy that AlCl3 serves as the chlorine source as well as an effective catalyst to facilitate this interesting transformation.
• ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：HOKKO CHEMICAL INDUSTRY CO., LTD.

  公开号：US20200267985A1

  公开（公告）日：2020-08-27

  An isoxazolin-5-one derivative represented by the following (1): wherein R 1 represents a C1-C6 haloalkyl group, and R 2 to R 4 and X each represents a certain substituent or the like; and n represents an integer of 1 to 4, wherein X's may be different from each other when n represents an integer of 2 to 4, and an herbicide containing the isoxazolin-5-one derivative as an active ingredient are provided.

  提供一种由以下式(1)表示的异氧代异噁唑啉-5-酮衍生物：其中R1代表C1-C6卤代烷基，R2到R4和X各代表一定的取代基或类似物；n代表1到4的整数，当n代表2到4的整数时，X可能互不相同，并提供一种以异氧代异噁唑啉-5-酮衍生物为活性成分的除草剂。