N-[2-(S)-amino-3-methylbutyl]-2-(S)-[(benzyloxycarbonyl)amino]-3-methylbutyramide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[2-(S)-amino-3-methylbutyl]-2-(S)-[(benzyloxycarbonyl)amino]-3-methylbutyramide
• 英文别名: N-[2-(S)-amino-3-methylbutyl]2-(S)-[(benzyloxycarbonyl)amino]-3-methylbutyramide；benzyl N-[(2S)-1-[[(2S)-2-amino-3-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
• 化学式: C₁₈H₂₉N₃O₃
• 分子量: 335.447
• InChiKey: PFNZBAWYDSEAIP-CVEARBPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  93.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[2-(S)-amino-3-methylbutyl]-2-(S)-[(benzyloxycarbonyl)amino]-3-methylbutyramide 、 对甲基苯甲酸 在 N,N'-羰基二咪唑 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 以44%的产率得到N-[3-methyl-2-(S)-[(4-methylbenzoyl)amino]butyl]-2-(S)-[(benzyloxycarbonyl)amino]-3-methylbutyramide
  参考文献：
  名称：

  EP1770085

  摘要：

  公开号：
• 作为产物：
  描述：

  N-[3-methyl-2-(S)-[(1,1-dimethylethyloxycarbonyl)amino]butyl]2-(S)-[(benzyloxycarbonyl)amino]-3-methylbutyramide 、 ethyl acetate hydrochloride 在 水 、 乙酸乙酯 、 二氯甲烷 、 sodium hydroxide 、 magnesium sulfate 作用下， 以 乙酸乙酯 为溶剂， 反应 5.0h， 以to give 1.89 g of the desired product as a light yellow solid (yield 90%)的产率得到N-[2-(S)-amino-3-methylbutyl]-2-(S)-[(benzyloxycarbonyl)amino]-3-methylbutyramide
  参考文献：
  名称：

  Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient

  摘要：

  本发明的目的是提供一种新型杀菌剂，该杀菌剂对各种作物的病原体具有广泛的控制谱，并解决了容忍问题。本发明公开了由式（1）表示的二胺衍生物及其制备方法，以及包含其作为活性成分的杀菌剂：[其中，R1是取代基，例如具有1到6个碳原子的烷基等，R2和R5各自独立地是氢原子、具有1到6个碳原子的烷基等取代基，R3和R4各自独立地是氢原子、具有1到6个碳原子的烷基等取代基，或者R3和R4可以结合在一起形成具有3到6个碳原子的碳氢环，R6、R7、R8和R9各自独立地是氢原子、具有1到6个碳原子的烷基等取代基，R10是氢原子、具有1到6个碳原子的烷基等取代基，A是氧原子或硫原子，Q是芳基或杂环]。

  公开号：

  US20070244153A1

文献信息

• DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1770085A1

  公开（公告）日：2007-04-04

  It is an object of the invention to provide a novel fungicide which exhibits a wide controlling spectrum against pathogens of various crops, and solves the toleration problem. The diamine derivative represented by the formula (1) and a process for preparation of the same, fungicides comprising the same as an active ingredient are disclosed: [wherein R1 is substituents such as an alkyl group having 1 to 6 carbon atoms and the like, R2 and R5 are each independently substituents such as hydrogen atom, an alkyl group having 1 to 6 carbon atoms and the like, R3 and R4 are each independently substituents such as hydrogen atom, an alkyl group having 1 to 6 carbon atoms and the like, or R3 and R4 may be bonded to each other to form a hydrocarbon ring having 3 to 6 carbon atoms, R6, R7, R8 and R9 are each independently substituents such as hydrogen atom, an alkyl group having 1 to 6 carbon atoms and the like, R10 is a substituent such as hydrogen atom, an alkyl group having 1 to 6 carbon atoms and the like, A is an oxygen atom or a sulfur atom, and Q is an aryl group or a heterocycle].

  本发明的目的是提供一种新型杀菌剂，该杀菌剂对各种作物的病原体具有广泛的控制谱，并解决了耐受性问题。 本发明公开了式 (1) 所代表的二胺衍生物及其制备方法，以及以二胺衍生物为有效成分的杀菌剂： 其中 R1 是取代基，如具有 1 至 6 个碳原子的烷基等；R2 和 R5 各自独立地是取代基，如氢原子、具有 1 至 6 个碳原子的烷基等；R3 和 R4 各自独立地是取代基，如氢原子、具有 1 至 6 个碳原子的烷基等、R6、R7、R8 和 R9 各自独立地为取代基，如氢原子、具有 1-6 个碳原子的烷基等，R10 为取代基，如氢原子、具有 1-6 个碳原子的烷基等，A 为氧原子或硫原子，Q 为芳基或杂环]。
• EP1770085
  申请人：——

  公开号：——

  公开（公告）日：——
• Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient
  申请人：Kakimoto Takeshi

  公开号：US20070244153A1

  公开（公告）日：2007-10-18

  It is an object of the invention to provide a novel fungicide which exhibits a wide controlling spectrum against pathogens of various crops, and solves the toleration problem. The diamine derivative represented by the formula (1) and a process for preparation of the same, fungicides comprising the same as an active ingredient are disclosed: [wherein R1 is substituents such as an alkyl group having 1 to 6 carbon atoms and the like, R2 and R5 are each independently substituents such as hydrogen atom, an alkyl group having 1 to 6 carbon atoms and the like, R3 and R4 are each independently substituents such as hydrogen atom, an alkyl group having 1 to 6 carbon atoms and the like, or R3 and R4 may be bonded to each other to form a hydrocarbon ring having 3 to 6 carbon atoms, R6, R7, R8 and R9 are each independently substituents such as hydrogen atom, an alkyl group having 1 to 6 carbon atoms and the like, R10 is a substituent such as hydrogen atom, an alkyl group having 1 to 6 carbon atoms and the like, A is an oxygen atom or a sulfur atom, and Q is an aryl group or a heterocycle].

  本发明的目的是提供一种新型杀菌剂，该杀菌剂对各种作物的病原体具有广泛的控制谱，并解决了容忍问题。本发明公开了由式（1）表示的二胺衍生物及其制备方法，以及包含其作为活性成分的杀菌剂：[其中，R1是取代基，例如具有1到6个碳原子的烷基等，R2和R5各自独立地是氢原子、具有1到6个碳原子的烷基等取代基，R3和R4各自独立地是氢原子、具有1到6个碳原子的烷基等取代基，或者R3和R4可以结合在一起形成具有3到6个碳原子的碳氢环，R6、R7、R8和R9各自独立地是氢原子、具有1到6个碳原子的烷基等取代基，R10是氢原子、具有1到6个碳原子的烷基等取代基，A是氧原子或硫原子，Q是芳基或杂环]。