3-acetoxy-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-pent-1-ene | 76608-51-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-acetoxy-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-pent-1-ene
• 英文别名: [1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-yl] acetate
• CAS: 76608-51-0
• 化学式: C₁₇H₂₇N₃O₂
• 分子量: 305.42
• InChiKey: PEGCDCRXVNBXMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-cyclohexyl-4,4-dimethyl-3-hydroxy-2(1H-1,2,4-triazol-1-yl)-pent-1-ene 在 吡啶 作用下， 以 乙酸酐 为溶剂， 生成 3-acetoxy-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-pent-1-ene
  参考文献：
  名称：

  Synergistic compositions for inhibiting plant growth

  摘要：

  一种包括##STR1##的植物生长抑制组合物，其中各种基团的定义如上。

  公开号：

  US04452625A1

文献信息

• 1-Vinyltriazole compounds and plant growth and fungicidal compositions
  申请人：Bayer Aktiengesellschaft

  公开号：US04647302A1

  公开（公告）日：1987-03-03

  1-Vinyltriazole compounds of the formula ##STR1## wherein R.sup.1 is alkyl, substituted alkyl, cycloalkyl, aryl or substituted aryl; R.sup.2 is alkyl; R.sup.3 is alkyl, cycloalkyl, cycloalkenyl, substituted cycloalkenyl, alkenyl, aryl or substituted aryl; or R.sup.2 and R.sup.3, together with the carbon to which they are bonded, represent cycloalkenyl, substituted cycloalkenyl, cycloalkyl or substituted cycloalkyl; X is the group ##STR2## or, alternatively, X may represent a keto group provided that when X is a keto group R.sup.1 is alkyl, substituted alkyl, cycloalkyl, or substituted cycloalkyl; R.sup.4 is hydrogen, alkyl, aralkyl, substituted aralkyl, acyl, carbamoyl or substituted carbamoyl; R.sup.5 is hydrogen, alkyl, aralkyl or substituted aralkyl; and acid addition salts and metal salt complexes thereof; are outstandingly effective plant growth regulants and as fungicides.

  化合物的结构式为##STR1## 其中R.sup.1是烷基，取代烷基，环烷基，芳基或取代芳基; R.sup.2是烷基; R.sup.3是烷基，环烷基，环烯基，取代环烯基，烯基，芳基或取代芳基; 或者R.sup.2和R.sup.3与它们所连接的碳一起表示环烯基，取代环烯基，环烷基或取代环烷基; X是##STR2## 或者，X可以表示酮基，前提是当X是酮基时，R.sup.1是烷基，取代烷基，环烷基或取代环烷基; R.sup.4是氢，烷基，芳基烷基，取代芳基烷基，酰基，氨基酰或取代氨基酰; R.sup.5是氢，烷基，芳基烷基或取代芳基烷基; 它们的酸加成盐和金属盐配合物是杰出的植物生长调节剂和杀菌剂。
• 1-vinyltriazole compounds and plant growth and fungicidal compositions
  申请人：Bayer Aktiengesellschaft

  公开号：US04749405A1

  公开（公告）日：1988-06-07

  1-Vinyltriazole compounds of the formula ##STR1## wherein R.sup.1 is alkyl, substituted alkyl, cycloalkyl, aryl or substituted aryl; R.sup.2 is alkyl; R.sup.3 is alkyl, cycloalkyl, cycloalkenyl, substituted cycloalkenyl, alkenyl, aryl or substituted aryl; or R.sup.2 and R.sup.3, together with the carbon to which they are bonded, represent cycloalkenyl, substituted cycloalkenyl, cycloalkyl or substituted cycloalkyl; is the group ##STR2## or, alternatively, X may represent a keto group provided that when X is a keto group, R.sup.1 is alkyl, substituted alkyl, cycloalkyl, or substituted cycloalkyl; R.sup.4 is hydrogen, alkyl, aralkyl, substituted aralkyl, acyl, carbamoyl or substituted carbamoyl; R.sup.5 is hydrogen, alkyl, aralkyl or substituted aralkyl; and acid addition salts and metal salt complexes thereof; are outstandingly effective plant growth regulants and as fungicides.

  公式为##STR1##的乙烯基三唑化合物，其中R.sup.1为烷基，取代烷基，环烷基，芳基或取代芳基; R.sup.2为烷基; R.sup.3为烷基，环烷基，环烯基，取代环烯基，烯基，芳基或取代芳基; 或R.sup.2和R.sup.3与它们所结合的碳一起，表示环烯基，取代环烯基，环烷基或取代环烷基; 为##STR2##或者，替代地，X可以表示酮基，只要当X是酮基时，R.sup.1为烷基，取代烷基，环烷基或取代环烷基; R.sup.4为氢，烷基，芳基烷基，取代芳基烷基，酰基，氨基甲酰或取代氨基甲酰; R.sup.5为氢，烷基，芳基烷基或取代芳基烷基; 以及其酸加成盐和金属盐络合物; 是优异的植物生长调节剂和杀菌剂。
• 1-vinyltraiazole compounds and plant growth and fungicidal composition
  申请人：Bayer Aktiengesellschaft

  公开号：US04743293A1

  公开（公告）日：1988-05-10

  1-Vinyltriazole compounds of the formula ##STR1## wherein R.sup.1 is alkyl, substituted alkyl, cycloalkyl, aryl or substituted aryl; R.sup.2 is alkyl; R.sup.3 is alkyl, cycloalkyl, cycloalkenyl, substituted cycloalkenyl, alkenyl, aryl or substituted aryl; or R.sup.2 and R.sup.3, together with the carbon to which they are bonded, represent cycloalkenyl, substituted cycloalkenyl, cycloalkyl or substituted cycloalkyl; X is the group ##STR2## or, alternatively, X may represent a keto group provided that when X is a keto group, R.sup.1 is alkyl, substituted alkyl, cycloalkyl, or substituted cycloalkyl; R.sup.4 is hydrogen, alkyl, aralkyl, substituted aralkyl, acyl, carbamoyl or substituted carbamoyl; R.sup.5 is hydrogen, alkyl, aralkyl or substituted aralkyl; and acid addition salts and metal salt complexes thereof; are outstandingly effective plant growth regulants and as fungicides.

  公式为##STR1##的乙烯基三唑化合物，其中R.sup.1是烷基，取代烷基，环烷基，芳基或取代芳基；R.sup.2是烷基；R.sup.3是烷基，环烷基，环烯基，取代环烯基，烯基，芳基或取代芳基；或R.sup.2和R.sup.3与它们所连接的碳一起，表示环烯基，取代环烯基，环烷基或取代环烷基；X是##STR2##的基团；或者，X可以表示酮基，前提是当X是酮基时，R.sup.1是烷基，取代烷基，环烷基或取代环烷基；R.sup.4是氢，烷基，芳基烷基，取代芳基烷基，酰基，氨基甲酰或取代氨基甲酰；R.sup.5是氢，烷基，芳基烷基或取代芳基烷基；以及它们的酸加成盐和金属盐配合物；是出色的植物生长调节剂和杀菌剂。