2-(4-chlorophenyl)-2-hydroxy-pent-4-ynoic acid | 1100611-19-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-(4-chlorophenyl)-2-hydroxy-pent-4-ynoic acid
• 英文别名: 2-(4-chlorophenyl)-2-hydroxypent-4-ynoic acid
• CAS: 1100611-19-5
• 化学式: C₁₁H₉ClO₃
• 分子量: 224.644
• InChiKey: CBVZQOYDEPWXHN-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：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-(4-chloro-phenyl)-2,2-dimethyl-5-prop-2-ynyl-(1,3)dioxolan-4-one 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 2-(4-chlorophenyl)-2-hydroxy-pent-4-ynoic acid
  参考文献：
  名称：

  Propargylether derivatives

  摘要：

  式I的Propargylether衍生物包括其光学异构体和这些异构体的混合物，其中R1是氢，烷基，环烷基或可选择取代的芳基，R2和R3分别独立地是氢或烷基，R4是烷基，烯基或炔基，R5、R6、R7和R8分别独立地是氢或烷基，R9是基团，R10是可选择取代的芳基或可选择取代的杂环芳基，R11是氢或可选择取代的烷基，烯基或炔基，Z是氢，-CO-R16，-COOR16，-CO-COOR16或-CONR16R17，R12是氢或可选择取代的烷基，烯基或炔基，R13是氢或烷基，R14是氢，烷基，环烷基或环烷基-烷基，R15是烷基，烯基，炔基，可选择取代的芳基或可选择取代的芳基-烷基，R16和R17独立地是氢，可选择取代的烷基，可选择取代的环烷基，可选择取代的芳基或可选择取代的杂环芳基，已被发现对控制或预防植物受植物病原微生物，尤其是真菌的侵害具有有用性。该发明涉及新颖的化合物，以及其制备和用于植物保护的化合物的用途，以及适用于在农业技术中应用新化合物的组合物。

  公开号：

  US06469005B1

文献信息

• NOVEL PROPARGYLETHER DERIVATIVES
  申请人：Syngenta Participations AG

  公开号：EP1140799A1

  公开（公告）日：2001-10-10
• US6469005B1
  申请人：——

  公开号：US6469005B1

  公开（公告）日：2002-10-22
• [EN] NOVEL PROPARGYLETHER DERIVATIVES<br/>[FR] NOUVEAUX DERIVES DE PROPARGYLETHER
  申请人：NOVARTIS AG

  公开号：WO2000041998A1

  公开（公告）日：2000-07-20

  Propargylether derivatives of formula (I) including the optical isomers thereof and mixtures of such isomers, wherein R1 is hydrogen, alkyl, cycloalkyl or optionally substituted aryl, R2 and R3 are each independently hydrogen or alkyl, R4 is alkyl, alkenyl or alkynyl, R5, R6, R7, and R8 are each indenpendently hydrogen or alkyl and R9 is a group of (a), (b), (c) or (d), R10 is optionally substituted aryl or optionally substituted heteroaryl, R11 is hydrogen or optionally substituted alkyl, alkenyl or alkynyl, Z is hydrogen -CO-R16, -COOR16, -CO-COOR16 or -CONR16R17, R12 is hydrogen, or optionally substituted alkyl, alkenyl or alkynyl, R13 is hydrogen or alkyl, R14 is hydrogen, alkyl, cycloalkyl or cycloalkyl-alkyl, R15 is alkyl, alkenyl, alkynyl, optionally substituted aryl or optionally substituted aryl-alkyl, and R16 and R17 are independently of each other hydrogen, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted aryl or optionally substituted heteroaryl, have been found to be useful for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi. The invention relates to 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.