2-(4-chlorophenyl)-2-methylthioimino-N-[2-(3-methoxy-4-(prop-2-ynyloxy)phenyl)ethyl]acetamide

• 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: 2-(4-chlorophenyl)-2-methylthioimino-N-[2-(3-methoxy-4-(prop-2-ynyloxy)phenyl)ethyl]acetamide
• 英文别名: (2E)-2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-methylsulfanyliminoacetamide
• 化学式: C₂₁H₂₁ClN₂O₃S
• 分子量: 416.928
• InChiKey: ANIFDOQPBCXRET-HIXSDJFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  85.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(4-chlorophenyl)-N-[2-(3-methoxy-4-(prop-2-ynyloxy)phenyl)ethyl]-2-oxoacetamide 、 N,N-Bis(trimethylsilyl)methanesulphenamide 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以35%的产率得到2-(4-chlorophenyl)-2-methylthioimino-N-[2-(3-methoxy-4-(prop-2-ynyloxy)phenyl)ethyl]acetamide
  参考文献：
  名称：

  Multicomponent reactions in fungicide research: The discovery of mandipropamid

  摘要：

  Isocyanide-based multicomponent reactions of the Ugi- and Passerini-type have been valuable tools for the rapid exploration of the novel fungicidal compound classes of phenylglycinamides and mandelamides. Mandipropamid (6), which was discovered during this derivatisation, displays excellent activity against the economically important phytopathogens Phytophthora infestans (potato and tomato late blight) and Plasmopara viticola (grape downy mildew). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.10.019

文献信息

• ALFA-SULFENIMINO ACID DERIVATIVES
  申请人：Syngenta Participations AG

  公开号：EP1140819A1

  公开（公告）日：2001-10-10
• US6479550B1
  申请人：——

  公开号：US6479550B1

  公开（公告）日：2002-11-12
• [EN] ALFA-SULFENIMINO ACID DERIVATIVES<br/>[FR] DERIVES D'ACIDE ALFA-SULFENIMINO
  申请人：NOVARTIS AG

  公开号：WO2000042007A1

  公开（公告）日：2000-07-20

  α-Sulfenimino acid derivatives of formula (I) including the optical isomers thereof and mixtures of such isomers, wherein A is cycloalkyl, cycloalkenyl, aryl or heteroaryl, each optionally substituted, B is a direct bond or optionally substituted alkylene, E is hydrogen or optionally substituted aryl, R is hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl, aryl or arylalkyl, each optionally substituted, and T is NH or oxygen, have been found to be useful for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi. The invention relates to the novel compounds and also to the preparation thereof and to the use of the compounds for plant protection, and to compositions suitable for applying the novel compounds in agricultural techniques.
• Multicomponent reactions in fungicide research: The discovery of mandipropamid
  作者：Clemens Lamberth、Andre Jeanguenat、Fredrik Cederbaum、Alain De Mesmaeker、Martin Zeller、Hans-Joachim Kempf、Ronald Zeun

  DOI：10.1016/j.bmc.2007.10.019

  日期：2008.2.1

  Isocyanide-based multicomponent reactions of the Ugi- and Passerini-type have been valuable tools for the rapid exploration of the novel fungicidal compound classes of phenylglycinamides and mandelamides. Mandipropamid (6), which was discovered during this derivatisation, displays excellent activity against the economically important phytopathogens Phytophthora infestans (potato and tomato late blight) and Plasmopara viticola (grape downy mildew). (C) 2007 Elsevier Ltd. All rights reserved.