N-4-chlorophenoxymethyl-N-hydrogencarbonyl-O-ethyl-S-(1-methylpropyl)phosphoroamidodithioate | 85519-22-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-4-chlorophenoxymethyl-N-hydrogencarbonyl-O-ethyl-S-(1-methylpropyl)phosphoroamidodithioate
• 英文别名: N-[butan-2-ylsulfanyl(ethoxy)phosphinothioyl]-N-[(4-chlorophenoxy)methyl]formamide
• CAS: 85519-22-8
• 化学式: C₁₄H₂₁ClNO₃PS₂
• 分子量: 381.884
• InChiKey: LXURONRRDHFJJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  96.2
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Novel phosphoro (di or tri) thioate derivatives, pesticidal compositions containing them and the use of the novel derivatives for combating pests
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0068823A1

  公开（公告）日：1983-01-05

  Novel compounds are provided which exhibit activity as pesticides for combating arthropods, nematodes and/or fungi. The novel compounds have the formula: wherein: R' is (C1-C4) alkyl optionally substituted with one (C1-C4) alkoxy group and/or one to four of the same or different bromo, chloro or fluoro atoms; (C3-C6) alkenyl; (C3-C6) alkynyl; phenyl optionally substituted with from one to three of the same or different alkyl, haloalkyl containing one to three of the same or different halo atoms, halo, alkoxy, alkylthio, cyano, nitro, amino, or mono- or di-(C1-C3)alkylamino groups or atoms; or phenyl(C1-C5) alkyl, preferably phenyl(C1-C3) alkyl, optionally ring-substituted with from one to three of the same or different alkyl, haloalkyl (preferably containing one to three of the same or different halo atoms), halo, alkoxy, alkylthio, cyano, nitro, amino, or mono- and di-(Ci-C3)alkylamino groups or atoms; R2 is (C2-C5) alkyl (or methyl when X and Y are both S) optionally substituted with from one to three of the same or different alkyl, halo, alkoxy, alkylthio, cyano, nitro, heterocyclic, amino, or mono-or di-(C1-C3)alkylamino groups or atoms; (C3-C6) alkenyl; (C3-C6) alkynyl; (C3-C6) cycloaliphatic or heterocycloaliphatic; phenyl optionally substituted with from one to three of the same or different substituents selected from alkyl, haloalkyl containing one to three of the same or different halo atoms, halo, alkoxy, alkylthio, cyano, nitro, amino and mono- or di-(C1-C3)alkylamino; phenyl (C1-C5) alkyl, preferably phenyl-(C1-C3)alkyl, optionally ring-substituted with from one to three of the same or different substituents selected from alkyl, haloalkyl containing one to three of the same or different halo atoms, halo, alkoxy alkylthio, cyano, nitro, amino and mono- or di-(C1-C3)alkylamino; R3 is hydrogen; methyl; trifluoromethyl; alkoxy(C1-C4)carbonyl; or alkoxy(C1-C4)thiocarbonyl; R4 is hydrogen; (C1-C7) alkyl optionally substituted with one to three of the same or different substituents selected from benzoyl alkoxy-(C1-C4)carbonyl, halo, alkoxy, alkylthio, cyano, nitro, and phenoxy or phenylthio each of the last two groups being optionally substituted with one to three of the same or different substituents selected from alkyl, alkoxy, halo, cyano, nitro, alkylthio. amino and mono- or di-(C1-C3)alkylamino; (C3-C6)alkenyl optionally substituted with one to three of the same or different substituents selected from alkoxy (C1-C4)carbonyl, phenyl, bromo, chloro and fluoro; (C3-C6)alkynyl; phenyl optionally ring-substituted with from one to five of the same or different halo atoms and/or up to three of the same or different substituents selected from alkyl containing one to three of the same or different halo atoms, alkoxy, alkythio, cyano, nitro, amino. and mono- or di-(C1-C3)alkylamino; or phenyl(or naphthyl)(C1-C3)alkyl optionally ring-substituted with one to five of the same or different halo atoms and/or with up to three substituents selected from alkyl, haloalkyl containing one to three of the same or different halo atoms, alkoxy. alkylthio, cyano. nitro, benzyloxy, methylenedioxy. amino and mono- or di-(C1-C3)alkylamino groups ; and X, Y and Z are the same or different and are O or S, X and Z not both being O except for the case when (1) Y is S. (2) R' is n-C3H7 or S-C4H9, (3) R2 is S-C4H9, (4) R3 is H and (5) R4 is methyl.

  本发明提供的新型化合物具有杀虫剂活性，可用于防治节肢动物、线虫和/或真菌。这些新型化合物的化学式如下 其中 R'是任选被一个（C1-C4）烷氧基和/或一至四个相同或不同的溴原子、氯原子或氟原子取代的（C1-C4）烷基； (C3-C6) 烯基； (C3-C6)炔基； 苯基，可任选被一至三个相同或不同的烷基、含有一至三个相同或不同卤原子的卤代烷基、卤代、烷氧基、烷硫基、氰基、硝基、氨基或单-或二-(C1-C3)烷基氨基基团或原子取代；或苯基（C1-C5）烷基，最好是苯基（C1-C3）烷基，可选择由一至三个相同或不同的烷基、卤代烷基（最好含有一至三个相同或不同的卤原子）、卤代、烷氧基、烷硫基、氰基、硝基、氨基或单-或二-（C1-C3）烷基氨基基团或原子环取代； R2 是被一至三个相同或不同的烷基、卤原子、烷氧基、烷硫基、氰基、硝基、杂环基、氨基或单-或二-（C1-C3）烷基氨基基团或原子任选取代的（C2-C5）烷基（或甲基，当 X 和 Y 均为 S 时）； (C3-C6) 烯基； (C3-C6) 烷基 (C3-C6) 环脂族或杂环脂族； 苯基可任选被一至三个相同或不同的取代基取代，这些取代基选自烷基、含有一至三个相同或不同卤原子的卤代烷基、卤代、烷氧基、烷硫基、氰基、硝基、氨基和单-或二-(C1-C3)烷基氨基； 苯基（C1-C5）烷基，优选苯基-（C1-C3）烷基，可任选被一至三个相同或不同的取代基环取代，这些取代基选自烷基、含有一至三个相同或不同卤原子的卤代烷基、卤代、烷氧基烷硫基、氰基、硝基、氨基和单-或二-（C1-C3）烷基氨基； R3 是氢； 甲基 三氟甲基 烷氧基（C1-C4）羰基；或 烷氧基（C1-C4）硫代羰基； R4是氢；(C1-C7)烷基，可任选被一至三个相同或不同的取代基取代，这些取代基选自苯甲酰烷氧基-(C1-C4)羰基、卤代、烷氧基、烷硫基、氰基、硝基和苯氧基或苯硫基，后两个基团中的每一个可任选被一至三个相同或不同的取代基取代，这些取代基选自烷基、烷氧基、卤代、氰基、硝基、烷硫基、氨基和单-或二-(C1-C3)烷基氨基； (C3-C6)烯基，可任选被一至三个相同或不同的取代基取代，这些取代基选自烷氧基 (C1-C4)羰基、苯基、溴基、氯基和氟基； (C3-C6)炔基；可任选被一至五个相同或不同卤原子和/或最多三个相同或不同取代基环取代的苯基，这些取代基可选自含有一至三个相同或不同卤原子的烷基、烷氧基、烷硫基、氰基、硝基、氨基。或苯基（或萘基）(C1-C3)烷基，可任选被一至五个相同或不同的卤原子和/或最多三个选自以下基团的取代基环状取代：烷基、含有一至三个相同或不同卤原子的卤代烷基、烷氧基、烷硫基、氰基、硝基、苄氧基、亚甲基二氧基、氨基和单-或二-(C1-C3)烷基氨基；和 X、Y 和 Z 相同或不同，并且是 O 或 S，X 和 Z 不能都是 O，但以下情况除外：(1) Y 是 S；(2) R' 是 n-C3H7 或 S-C4H9；(3) R2 是 S- ；(4) R3 是 H；(5) R4 是甲基。
• US4544553A
  申请人：——

  公开号：US4544553A

  公开（公告）日：1985-10-01
• US4614734A
  申请人：——

  公开号：US4614734A

  公开（公告）日：1986-09-30