Ethyl 4-nitro-3-(4-tert-butylphenyl)pentanoate | 130872-29-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Ethyl 4-nitro-3-(4-tert-butylphenyl)pentanoate
• 英文别名: Ethyl 4-nitro-3-(4-t-butylphenyl)pentanoate；ethyl 3-(4-tert-butylphenyl)-4-nitropentanoate
• CAS: 130872-29-6
• 化学式: C₁₇H₂₅NO₄
• 分子量: 307.39
• InChiKey: KOPBXQLEBMSYPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 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 4-nitro-3-(4-tert-butylphenyl)pentanoate 在 lithium aluminium tetrahydride 、 溶剂黄146 、 N,N-二异丙基乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醚 、 戊醇 为溶剂， 反应 18.0h， 生成 trans-1-(Pyrimidin-2-yl)-2-methyl-3-(4-tert-butylphenyl)pyrrolidine
  参考文献：
  名称：

  Rationally Designed Guanidine and Amidine Fungicides

  摘要：

  A previous investigation established that compounds containing a guanidinium or amidinium grouping are effective inhibitors of sterol Delta(8)-Delta(7) isomerase and/or Delta(14) reductase activity in plant pathogenic fungi. A binding model for known fungicidal inhibitors of this enzyme has now been used to rationally design further guanidinium or amidinium inhibitors. Three novel classes of chemistry were investigated. The results of biochemical testing against ergosterol biosynthesis in Ustilago maydis (DC) Corda and of in-vivo testing for fungicidal activity against Erysiphe graminis DC f. sp, hordei Marchal (powdery mildew of barley), do much to support the binding model, and compounds with significant fungicidal activity have been found.

  DOI：

  10.1002/(sici)1096-9063(199707)50:3<258::aid-ps587>3.0.co;2-3
• 作为产物：
  描述：

  硝基乙烷 、 （E）-3-（4-（叔丁基）苯基）丙烯酸乙酯 在 四丁基氟化铵 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 Ethyl 4-nitro-3-(4-tert-butylphenyl)pentanoate
  参考文献：
  名称：

  Rationally Designed Guanidine and Amidine Fungicides

  摘要：

  A previous investigation established that compounds containing a guanidinium or amidinium grouping are effective inhibitors of sterol Delta(8)-Delta(7) isomerase and/or Delta(14) reductase activity in plant pathogenic fungi. A binding model for known fungicidal inhibitors of this enzyme has now been used to rationally design further guanidinium or amidinium inhibitors. Three novel classes of chemistry were investigated. The results of biochemical testing against ergosterol biosynthesis in Ustilago maydis (DC) Corda and of in-vivo testing for fungicidal activity against Erysiphe graminis DC f. sp, hordei Marchal (powdery mildew of barley), do much to support the binding model, and compounds with significant fungicidal activity have been found.

  DOI：

  10.1002/(sici)1096-9063(199707)50:3<258::aid-ps587>3.0.co;2-3

文献信息

• Substituted guanidine and amidine compounds, and fungicidal use
  申请人：DowElanco

  公开号：US05376659A1

  公开（公告）日：1994-12-27

  The present invention relates to novel substituted guanidine and amidine compounds, their preparation and their use in the kill and control of fungal organisms which infest plants.

  本发明涉及新型取代脲和酰胺化合物，其制备和用于杀灭和控制侵害植物的真菌生物的方法。
• Substituted guanidine and amidine compounds, their production and fungicidal use
  申请人：DowElanco

  公开号：EP0375414B1

  公开（公告）日：1994-06-15
• US5376659A
  申请人：——

  公开号：US5376659A

  公开（公告）日：1994-12-27
• Rationally Designed Guanidine and Amidine Fungicides
  作者：John W. Liebeschuetz、Ruth B. Katz、Albert D. Duriatti、Mary L. Arnold

  DOI：10.1002/(sici)1096-9063(199707)50:3<258::aid-ps587>3.0.co;2-3

  日期：1997.7

  A previous investigation established that compounds containing a guanidinium or amidinium grouping are effective inhibitors of sterol Delta(8)-Delta(7) isomerase and/or Delta(14) reductase activity in plant pathogenic fungi. A binding model for known fungicidal inhibitors of this enzyme has now been used to rationally design further guanidinium or amidinium inhibitors. Three novel classes of chemistry were investigated. The results of biochemical testing against ergosterol biosynthesis in Ustilago maydis (DC) Corda and of in-vivo testing for fungicidal activity against Erysiphe graminis DC f. sp, hordei Marchal (powdery mildew of barley), do much to support the binding model, and compounds with significant fungicidal activity have been found.