3-[benzo-1,2,3-thiadiazole-7-carbonyloxy]-1-phenyl-1-propene | 131817-45-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 英文名称: 3-[benzo-1,2,3-thiadiazole-7-carbonyloxy]-1-phenyl-1-propene
• 英文别名: 3-phenylprop-2-enyl 1,2,3-benzothiadiazole-7-carboxylate
• CAS: 131817-45-3
• 化学式: C₁₆H₁₂N₂O₂S
• 分子量: 296.349
• InChiKey: FUTWJJCOPOJFRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-苯基丙-2-烯-1-醇 、 1,2,3-苯并噻二唑-7-甲酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 ice-water 、 二氯甲烷 为溶剂， 生成 3-[benzo-1,2,3-thiadiazole-7-carbonyloxy]-1-phenyl-1-propene
  参考文献：
  名称：

  Compositions for protecting plants against disease

  摘要：

  式子为##STR1##的新型苯并噻二唑-7-羧酸酯，其中Y为氧或硫；Q.sub.1和Q.sub.2各自独立地为氢或卤素；R.sub.1和R.sub.2各自独立地为氢或C.sub.1-C.sub.4烷基；X.sub.1为氢、卤素、C.sub.1-C.sub.4烷基、三氟甲基、C.sub.1-C.sub.3烷基、C.sub.1-C.sub.2烷氧基在烷基中取代的卤素、硝基、氰基、二甲基氨基、苯基、苯氧基，或者苯基或苯氧基在卤素和/或C.sub.1-C.sub.2烷基和/或C.sub.1-C.sub.2烷氧基取代；X.sub.2为氢、卤素或甲基；X.sub.3为氢或卤素；A包括桥接成员##STR2##R.sub.5为C.sub.1-C.sub.6烷基、C.sub.3-C.sub.6环烷基、C.sub.1-C.sub.6烷氧基、苯基或卤素或甲氧基取代的苯基；R.sub.6为C.sub.1-C.sub.6烷基或C.sub.1-C.sub.6烷氧基；##STR3##表示饱和或不饱和的3-至7-成员杂环W.sub.3，其中最多有2个氧或硫原子作为额外杂原子。这种新型活性成分具有植物保护性能，特别适用于预防保护植物免受植物病原微生物（如真菌，细菌和病毒）的攻击。

  公开号：

  US05302607A1

文献信息

• Compositions for protecting plants against disease
  申请人：Ciba-Geigy Corporation

  公开号：US05302607A1

  公开（公告）日：1994-04-12

  Novel benzo-1,2,3-thiadiazole-7-carboxylic acid esters of formula ##STR1## in which Y is oxygen or sulfur; Q.sub.1 and Q.sub.2 independently of one another are each hydrogen or halogen; R.sub.1 and R.sub.2 independently of one another are each hydrogen or C.sub.1 -C.sub.4 alkyl; X.sub.1 is hydrogen, halogen, C.sub.1 -C.sub.4 alkyl, trifluoromethyl, C.sub.1 -C.sub.3 alkyl, C.sub.1 -C.sub.2 alkoxy halo-substituted in the alkyl moiety, nitro, cyano, dimethylamino, phenyl, phenoxy, or phenyl or phenoxy each substituted by halogen and/or by C.sub.1 -C.sub.2 alkyl and/or by C.sub.1 -C.sub.2 alkoxy; X.sub.2 is hydrogen, halogen or methyl; X.sub.3 is hydrogen or halogen; and A comprises the bridge member ##STR2## R.sub.5 is C.sub.1 -C.sub.6 alkyl, C.sub.3 -C.sub.6 cycloalkyl, C.sub.1 -C.sub.6 alkoxy, phenyl, or phenyl substituted by halogen or methoxy; R.sub.6 is C.sub.1 -C.sub.6 alkyl or C.sub.1 -C.sub.6 alkoxy; ##STR3## that together represents a saturated or unsaturated 3- to 7-membered heterocycle W.sub.3 having a maximum of 2 oxygen or sulfur atoms as additional hetero atoms. The novel active ingredients have plant-protecting properties and are suitable especially for the preventive protection of plants against attack by phytopathogenic microorganisms such as fungi, bacteria and viruses.

  式子为##STR1##的新型苯并噻二唑-7-羧酸酯，其中Y为氧或硫；Q.sub.1和Q.sub.2各自独立地为氢或卤素；R.sub.1和R.sub.2各自独立地为氢或C.sub.1-C.sub.4烷基；X.sub.1为氢、卤素、C.sub.1-C.sub.4烷基、三氟甲基、C.sub.1-C.sub.3烷基、C.sub.1-C.sub.2烷氧基在烷基中取代的卤素、硝基、氰基、二甲基氨基、苯基、苯氧基，或者苯基或苯氧基在卤素和/或C.sub.1-C.sub.2烷基和/或C.sub.1-C.sub.2烷氧基取代；X.sub.2为氢、卤素或甲基；X.sub.3为氢或卤素；A包括桥接成员##STR2##R.sub.5为C.sub.1-C.sub.6烷基、C.sub.3-C.sub.6环烷基、C.sub.1-C.sub.6烷氧基、苯基或卤素或甲氧基取代的苯基；R.sub.6为C.sub.1-C.sub.6烷基或C.sub.1-C.sub.6烷氧基；##STR3##表示饱和或不饱和的3-至7-成员杂环W.sub.3，其中最多有2个氧或硫原子作为额外杂原子。这种新型活性成分具有植物保护性能，特别适用于预防保护植物免受植物病原微生物（如真菌，细菌和病毒）的攻击。