benzoic acid 3,5-dichloro-4-{3-[4-(5-isopropylsulfanyl-tetrazol-1-yl)-phenoxy]-propoxy}-phenyl ester | 669055-89-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: benzoic acid 3,5-dichloro-4-{3-[4-(5-isopropylsulfanyl-tetrazol-1-yl)-phenoxy]-propoxy}-phenyl ester
• 英文别名: Benzoic acid 3,5-dichloro-4-{3-[4-(5-isopropylsulfanyl-tetrazol-1-yl)-phenoxy]-propoxy}-phenyl ester；[3,5-dichloro-4-[3-[4-(5-propan-2-ylsulfanyltetrazol-1-yl)phenoxy]propoxy]phenyl] benzoate
• CAS: 669055-89-4
• 化学式: C₂₆H₂₄Cl₂N₄O₄S
• 分子量: 559.473
• InChiKey: CCRUYOXTPWPZCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  benzoic acid 3,5-dichloro-4-{3-[4-(5-isopropylsulfanyl-tetrazol-1-yl)-phenoxy]-propoxy}-phenyl ester 在 正丁胺 作用下， 反应 1.5h， 生成 3,5-dichloro-4-{3-[4-(5-isopropylsulfanyl-tetrazol-1-yl)-phenoxy]-propoxy}-phenol
  参考文献：
  名称：

  [EN] 4-(3,3-DIHALO-ALLYLOXY) PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES
  [FR] DERIVES DE 4-(3,3-DIHALO-ALLYLOXY)PHENOL DOTES DE PROPRIETES PESTICIDES

  摘要：

  公开号：

  WO2004020445A3
• 作为产物：
  描述：

  3,5-dichloro-4-hydroxyphenyl benzoate 、 3-[4-(5-isopropyisulfanyl-tetrazol-1-yl)-phenoxy]-propan-1-ol 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 25.5h， 生成 benzoic acid 3,5-dichloro-4-{3-[4-(5-isopropylsulfanyl-tetrazol-1-yl)-phenoxy]-propoxy}-phenyl ester
  参考文献：
  名称：

  [EN] 4-(3,3-DIHALO-ALLYLOXY) PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES
  [FR] DERIVES DE 4-(3,3-DIHALO-ALLYLOXY)PHENOL DOTES DE PROPRIETES PESTICIDES

  摘要：

  公开号：

  WO2004020445A3

文献信息

• 4-(3,3-dihalo-allyloxy) phenol derivatives having pesticidal properties
  申请人：Zambach Werner

  公开号：US20050288186A1

  公开（公告）日：2005-12-29

  Compounds of formula (I) wherein A o is a bond or a C 1 -C 6 alkylene bridge; A 1 , A 2 and A 3 are a C 1 -C 6 alkylene bridge; D is CH or N; W is, for example, O, S, SO, S0 2 , —C(═O)—O— or —O—C(═O)—; T is a bond or, for example, O, NH, S, SO or SR 2 ; Q is, for example, O, S, SO or SO 2 ; Y is, for example, O, S, SO or SO 2 ; X 1 and X 2 are each independently of the other fluorine, chlorine or bromine; R 1 , R 2 and R 3 are, for example, H, halogen, OH, SH, CN or nitro; R 4 is, for example, H, halogen, OH, SH, CN, nitro or C 1 -C 6 alkyl; R 5 is, for example, H, CN, OH, C 1 -C 6 alkyl or C 3 -C 8 cycloalkyl; k is 1, 2 or 3 when D is nitrogen; or is 1, 2, 3 or 4 when D is CH; m is 1 or 2; E is heteroaryl which is unsubstituted or substituted—depending upon the substitutions possible on the ring—by from one to four identical or different substituents selected from R 10 ; and R 10 is, for example, halogen, CN, NO 2 , OH, SH or C 1 -C 6 alkyl; and, where applicable, their possible E/Z isomers, E/Z isomeric mixtures and/or tautomers, in each case in free form or in salt form, a process for the preparation of those compounds and their use, pesticidal compositions in which the active ingredient has been selected from those compounds or an agrochemically acceptable salt thereof, a process for the preparation of those compositions and their use, plant propagation material treated with those compositions, and a method of controlling pests.

  式(I)的化合物，其中A是键或C1-C6烷基桥；A1、A2和A3是C1-C6烷基桥；D是CH或N；W是例如O、S、SO、S02、—C(═O)—O—或—O—C(═O)—；T是键或例如O、NH、S、SO或SR2；Q是例如O、S、SO或SO2；Y是例如O、S、SO或SO2；X1和X2各自独立地是氟、氯或溴；R1、R2和R3是例如H、卤素、OH、SH、CN或硝基；R4是例如H、卤素、OH、SH、CN、硝基或C1-C6烷基；R5是例如H、CN、OH、C1-C6烷基或C3-C8环烷基；当D是氮时，k是1、2或3；当D是CH时，k是1、2、3或4；m是1或2；E是杂环芳烃，未取代或取代-取决于环上可能的取代物-由1至4个相同或不同的R10取代基选自；R10是例如卤素、CN、NO2、OH、SH或C1-C6烷基；在适用的情况下，它们可能的E/Z异构体、E/Z异构体混合物和/或互变异构体，均为自由形式或盐形式，制备这些化合物的过程及其用途，农药组合物，其中活性成分已从这些化合物或其农业化学上可接受的盐中选择，制备这些组合物的过程及其用途，用这些组合物处理的植物繁殖材料，以及控制害虫的方法。
• 4-(3,3-DIHALO-ALLYLOXY)PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES
  申请人：Zambach Werner

  公开号：US20100016383A1

  公开（公告）日：2010-01-21

  Compounds of formula wherein A 0 is a bond or a C 1 -C 6 alkylene bridge; A 1 , A 2 and A 3 are a C 1 -C 6 alkylene bridge; D is CH or N; W is, for example, O, S, SO, SO 2 , —C(═O)—O— or —O—C(═O)—; T is a bond or, for example, O, NH, S, SO or SR 2 ; Q is, for example, O, S, SO or SO 2 ; Y is, for example, O, S, SO or SO 2 ; X 1 and X 2 are each independently of the other fluorine, chlorine or bromine; R 1 , R 2 and R 3 are, for example, H, halogen, OH, SH, CN or nitro; R 4 is, for example, H, halogen, OH, SH, CN, nitro or C 1 -C 6 alkyl; R 5 is, for example, H, CN, OH, C 1 -C 6 alkyl or C 3 -C 8 cycloalkyl; k is 1, 2 or 3 when D is nitrogen; or is 1, 2, 3 or 4 when D is CH; m is 1 or 2; E is heteroaryl which is unsubstituted or substituted—depending upon the substitutions possible on the ring—by from one to four identical or different substituents selected from R 10 ; and R 10 is, for example, halogen, CN, NO 2 , OH, SH or C 1 -C 6 alkyl; and, where applicable, their possible E/Z isomers, E/Z isomeric mixtures and/or tautomers, in each case in free form or in salt form, a process for the preparation of those compounds and their use, pesticidal compositions in which the active ingredient has been selected from those compounds or an agrochemically acceptable salt thereof, a process for the preparation of those compositions and their use, plant propagation material treated with those compositions, and a method of controlling pests.

  该化合物的公式为：其中A0是键或C1-C6烷基桥；A1、A2和A3是C1-C6烷基桥；D是CH或N；W例如为O、S、SO、SO2、—C（═O）—O—或—O—C（═O）—；T是键或例如O、NH、S、SO或SR2；Q例如为O、S、SO或SO2；Y例如为O、S、SO或SO2；X1和X2各自独立地为氟、氯或溴；R1、R2和R3例如为H、卤素、OH、SH、CN或硝基；R4例如为H、卤素、OH、SH、CN、硝基或C1-C6烷基；R5例如为H、CN、OH、C1-C6烷基或C3-C8环烷基；当D为氮时，k为1、2或3；当D为CH时，k为1、2、3或4；m为1或2；E是杂环芳基，未取代或被从R10中选择的一个到四个相同或不同的取代基（取决于环上可能的取代物）取代；R10例如为卤素、CN、NO2、OH、SH或C1-C6烷基；以及可能的E/Z异构体、E/Z异构体混合物和/或互变异构体，在自由形式或盐形式中，制备这些化合物的方法及其用途，所述活性成分选自这些化合物或其农药学上可接受的盐的杀虫剂组合物，制备这些组合物的方法及其用途，用这些组合物处理的植物繁殖材料以及控制害虫的方法。
• [EN] 4-(3,3-DIHALO-ALLYLOXY) PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES<br/>[FR] DERIVES DE 4-(3,3-DIHALO-ALLYLOXY)PHENOL DOTES DE PROPRIETES PESTICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2004020445A3

  公开（公告）日：2004-04-15