2-(2,6-Diethylphenyl)-4-methoxy-1H-isoindole-1,3(2H)-dione | 64661-14-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(2,6-Diethylphenyl)-4-methoxy-1H-isoindole-1,3(2H)-dione
• 英文别名: 2-(2,6-diethylphenyl)-4-methoxyisoindole-1,3-dione
• CAS: 64661-14-9
• 化学式: C₁₉H₁₉NO₃
• 分子量: 309.4
• InChiKey: NZQYLPKMQWLIEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Phthalimide derivatives, their preparation and their use as agricultural fungicides
  申请人：SANKYO COMPANY LIMITED

  公开号：EP0152021A2

  公开（公告）日：1985-08-21

  Compounds of formula (I): in which R1 and R2 are the same or different and each represents a C1-C6 alkyl group or a C2-C6 alkenyl group; R3 represents hydrogen, a halogen atom or a C1-C6 alkyl group; and R4 represents a carboxy group; a thiocarboxy group; a cyano group; a nitro group; an amino group; an amino group having 1 or 2 aliphatic carboxylic acyl substituents; a heterocyclic group; an aliphatic carboxylic acyl group; a C2-C4 alkenyl group; or a C1-C4 alkyl or C2-C4 alkenyl group having 1 or 2 substituents selected from the group consisting of groups of formula -XR5 (wherein X represents the oxygen or sulfur atom or the -NH- group, and R5 represents hydrogen, a C3-C8 cycloalkyl group, a C2-C4 alkenyl group, a C2-C4 alkynyl group, an aryl group, a carboxy group, an acyl group, a C,-C6 alkyl group, or a C1-C6 alkyl group having at least one substituent selected from the group consisting of cyano, nitro, C,-C4 alkoxy, aryl, aryloxy and C1-C4 alkylamino substituents), halogen atoms, heterocyclic groups, carboxy groups, thiocarboxy groups, cyano groups, aliphatic carboxylic acyl groups, aromatic carboxylic acyl groups, nitro groups, di(C1-C3 alkoxy)phosphoryl groups and hydroxyimino groups; and, where R4 represents a carboxy or thiocarboxy group or a group including said carboxy or thiocarboxy group, the corresponding acid halides, esters, amides and salts thereof; and, where R4 represents a group including a hydroxy or mercapto group, esters thereof; and, where R4 represents or includes a substituted or unsubstituted amino group, acid addition salts thereof are useful agricultural fungicides, being especially effective against club root.

  式(I)化合物： 其中 R1 和 R2 相同或不同，各自代表一个 C1-C6 烷基或一个 C2-C6 烯基； R3 代表氢、卤素原子或 C1-C6 烷基；以及 R4 代表羧基；硫代羧基；氰基；硝基；氨基；具有 1 或 2 个脂肪族羧酰基取代基的氨基；杂环基；脂肪族羧酰基；C2-C4 烯基；或具有 1 或 2 个取代基的 C1-C4 烷基或 C2-C4 烯基，这些取代基选自式 -XR5 （其中 X 代表氧原子或硫原子或 -NH- 基团，R5 代表氢、C3-C8 环烷基、C2-C4 烯基、C2-C4 炔基、芳基、羧基、酰基、C,-C6 烷基）组成的组、或具有至少一个取代基的 C1-C6 烷基，该取代基选自由氰基、硝基、C,-C4 烷氧基、芳基、芳氧基和 C1-C4 烷基氨基取代基、卤素原子、杂环基、羧基、硫代羧基、氰基、脂肪族羧酰基、芳香族羧酰基、硝基、二（C1-C3 烷氧基）磷酰基和羟基亚氨基组成的组；当 R4 代表羧基或硫代羧基或包括上述羧基或硫代羧基的基团时，相应的酸卤、酯、酰胺及其盐； 在 R4 代表包括羟基或巯基在内的基团的情况下，其酯； 当 R4 代表或包括取代或未取代的氨基时，其酸加成盐是有用的农用杀菌剂，对球根特别有效。