methanesulfonic acid 3-[2,6-dichloro-4-(3,3-dichloro-allyloxy)-phenoxy]-propyl ester | 669055-91-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methanesulfonic acid 3-[2,6-dichloro-4-(3,3-dichloro-allyloxy)-phenoxy]-propyl ester
• 英文别名: methanesulfonic acid 3-[2,6-dichloro-4-(3,3-dichloroallyloxy)phenoxy]propyl ester；Methanesulfonic acid 3-[2,6-dichloro-4-(3,3-dichloro-allyloxy)-phenoxy]-propyl ester；3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl methanesulfonate
• CAS: 669055-91-8
• 化学式: C₁₃H₁₄Cl₄O₅S
• 分子量: 424.129
• InChiKey: XERZKXMKJQTESK-UHFFFAOYSA-N

物化性质

• 沸点：
  587.4±50.0 °C(Predicted)
• 密度：
  1.475±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  70.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methanesulfonic acid 3-[2,6-dichloro-4-(3,3-dichloro-allyloxy)-phenoxy]-propyl ester 、 4-碘苯酚 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 24.0h， 生成 1,3-dichloro-5-(3,3-dichloro-allyloxy)-2-[3-(4-iodo-phenoxy)-propoxy]-benzene
  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

• [EN] PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES<br/>[FR] DERIVES DE CETONE ET D'OXIME A ACTION PESTICIDE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2004113273A1

  公开（公告）日：2004-12-29

  Compounds of formula (I), wherein A0, A1, and A2 are each independently of the others a bond or a Cl-C6alkylene bridge; A3 is a Cl-C6alkylene bridge which is unsubstituted or substituted by from one to six identical or different substituents selected from halogen and C3-C8cycloalkyl; Y is, for example, 0, S, SO or S02; M is 0 or NOR6, X1, and X2 are each independently of the other fluorine, chlorine or bromine; R1, R2 and R3 are, for example, H, halogen, OH, SH, CN, nitro, C1-C6alkyl, Cl-C6haloalkyl, Cl-C6alkylcarbonyl, C2-C6alkenyl, C2-C6haloalkenyl or C2-C6alkynyl; Q is, for example, O, S, SO or SO2; W is, for example, 0, S, SO, SO2, -C(=O)-O- or -0-C(=O)-; T is, for example, a bond, 0, S, SO, S02, -C(=O)-O­or -0-C(=O)-; D is CH or N; R4 is, for example, H, halogen, OH, SH, CN, nitro, Cl-C6alkyl or C1-C6haloalkyl; R5 is, for example, Cl-Cl2alkyl, C3-C8cycloalkyl or -N(R7)2; R7 is H, C1-C6alkyl, Cl-C3haloalkyl, Cl-C6alkylcarbonyl, Cl-C3haloalkylcarbonyl, Cl-C6alkoxycarbonyl, C3-C8Cycloalkyl, C3-C8 cycloalkylcarbonyl or formyl; k is 0, 1, 2, 3 or 4; m is 1 or 2; and q is 0, 1 or 2; 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 and agrochemically acceptable salts thereof, and a process for the preparation of those compositions and their use, to plant propagation material treated with those compositions, and a method of controlling pests.

  式(I)的化合物，其中A0、A1和A2分别独立地是键或Cl-C6烷基桥；A3是未取代或被从一个到六个相同或不同的卤素和C3-C8环烷基中选择的取代基取代的Cl-C6烷基桥；Y是例如0、S、SO或S02；M是0或NOR6，X1和X2是分别独立的氟、氯或溴；R1、R2和R3是例如H、卤素、OH、SH、CN、硝基、C1-C6烷基、Cl-C6卤代烷基、Cl-C6烷基羰基、C2-C6烯基、C2-C6卤代烯基或C2-C6炔基；Q是例如O、S、SO或SO2；W是例如0、S、SO、SO2、-C(=O)-O-或-0-C(=O)-；T是例如键、0、S、SO、S02、-C(=O)-O或-0-C(=O)-；D是CH或N；R4是例如H、卤素、OH、SH、CN、硝基、Cl-C6烷基或C1-C6卤代烷基；R5是例如Cl-Cl2烷基、C3-C8环烷基或-N(R7)2；R7是H、C1-C6烷基、Cl-C3卤代烷基、Cl-C6烷基羰基、Cl-C3卤代烷基羰基、Cl-C6烷氧羰基、C3-C8环烷基、C3-C8环烷基羰基或甲酰基；k是0、1、2、3或4；m是1或2；q是0、1或2；以及在适用的情况下，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，无论是在自由形式还是盐形式中，这些化合物的制备方法及其用途，农药组合物，其中活性成分已从这些化合物和农业上可接受的盐中选择，并且这些组合物的制备方法及其用途，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] DIHALO-ALLYLOXY-PHENOL DERIVATIVES HAVING PESTICIDAL ACTIVITY<br/>[FR] DERIVES DIHALO-ALLYLOXY-PHENOL A ACTIVITE PESTICIDE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2004052816A1

  公开（公告）日：2004-06-24

  Compounds of formula (I), wherein A1 and A2 are each independently of the other a bond or a C1-C6alkylene bridge; A3 is a C1-C6alkylene bridge; X1 and X2 are each independently of the other fluorine, chlorine or bromine; Y is O, NR7, S, SO or SO2; R1, R2 and R3 are each independently of the others, for example, H, halogen, OH, SH, CN, nitro, C1-C6alkyl, C1-C6haloalkyl, C1-C6alkylcarbonyl or C2-C6alkenyl; Q is O, NR5, S, SO or SO2; W is, for example, O, NR5 or SO; T is for example, a bond, O or NR5; D is CH or N; R4 is, for example, H, halogen, OH, SH, CN or nitro; R5 and R7 are, for example, H, C1-C6alkyl or C1-C3haloalkyl; k is 1, 2, 3 or 4; m is 1 or 2; R10 is a radical which contains O, N or S; R11 is, for example, H, C1-C12alkyl or a radical which contains from one to three hetero atoms selected from O, N and S; or R11 together with R12 is a bond; R12 is, for example, H, C1-C6alkyl, halo-C1-C6alkyl or C1-C6alkoxy-C1-C6-alkyl; and, where applicable, their possible E/Z isomers, E/Z isomeric mixtures and/or tautomers, in each case in free from 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A1和A2分别独立地是键或C1-C6烷基桥；A3是C1-C6烷基桥；X1和X2分别独立地是氟、氯或溴；Y是O、NR7、S、SO或SO2；R1、R2和R3分别独立地是例如H、卤素、OH、SH、CN、硝基、C1-C6烷基、C1-C6卤代烷基、C1-C6烷基羰基或C2-C6烯基；Q是O、NR5、S、SO或SO2；W是例如O、NR5或SO；T是例如键、O或NR5；D是CH或N；R4是例如H、卤素、OH、SH、CN或硝基；R5和R7是例如H、C1-C6烷基或C1-C3卤代烷基；k是1、2、3或4；m是1或2；R10是含有O、N或S的基团；R11是例如H、C1-C12烷基或含有O、N和S中的一个到三个杂原子的基团；或R11与R12一起是键；R12是例如H、C1-C6烷基、卤代C1-C6烷基或C1-C6烷氧基-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，在无盐或盐形式中，制备这些化合物的方法及其用途，农药组合物中的活性成分被选择自这些化合物或其农药学上可接受的盐；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。
• Pesticidally active ketone and oxime derivatives
  申请人：Zambach Werner

  公开号：US20060128670A1

  公开（公告）日：2006-06-15

  Compounds of formula (I), wherein A 0 , A 1 , and A 2 are each independently of the others a bond or a C 1 -C 6 alkylene bridge; A 3 is a C 1 -C 6 alkylene bridge which is unsubstituted or substituted by from one to six identical or different substituents selected from halogen and C 3 -C 8 cycloalkyl; Y is, for example, 0, S, SO or S0 2 ; M is 0 or NOR 6 , 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, nitro, C 1 -C 6 alkyl, C 1 -C 6 halealkyl, C 1 -C 6 alkylcarbonyl, C 2 -C 6 alkenyl, C 2 -C 6 haloalkenyl or C 2 -C 6 alkynyl; Q is, for example, O, S, SO or SO 2 ; W is, for example, 0, S, SO, SO 2 , —C(═O)—O— or -0—C(═O)—; T is, for example, a bond, 0, S, SO, S0 2 , —C(═O)—O or -0-C(═O)—; D is CH or N; R 4 is, for example, H, halogen, OH, SH, CN, nitro, C 1 -C 6 alkyl or C 1 -C 6 haloalkyl; R 5 is, for example, C 1 -C 12 alkyl, C 3 -C 8 cycloalkyl or —N(R 7 ) 2 ; R 7 is H, C 1 -C 6 alkyl, C 1 -C 3 haloalkyl, C 1 -C 6 alkylcarbonyl, C 1 -C 3 haloalkylcarbonyl, C 1 -C 6 alkoxycarbonyl, C 3 -C 8 Cycloalkyl, C 3 -C 8 cycloalkyl-carbonyl or formyl; k is 0, 1, 2, 3 or 4; m is 1 or 2; and q is 0, 1 or 2; 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 and agrochemically acceptable salts thereof, and a process for the preparation of those compositions and their use, to plant propagation material treated with those compositions, and a method of controlling pests.

  化学式为（I）的化合物，其中A0，A1和A2各自独立地为键或C1-C6烷基桥；A3是未取代或被从卤素和C3-C8环烷基中选择的一个到六个相同或不同的取代基所取代的C1-C6烷基桥；Y是，例如，0，S，SO或S02；M为0或NOR6，X1和X2分别独立地为氟，氯或溴；R1，R2和R3为，例如，H，卤素，OH，SH，CN，硝基，C1-C6烷基，C1-C6卤代烷基，C1-C6烷基羰基，C2-C6烯基，C2-C6卤代烯基或C2-C6炔基；Q是，例如，O，S，SO或SO2；W是，例如，0，S，SO，SO2，-C（═O）-O-或-0-C（═O）-；T是，例如，键，0，S，SO，S02，-C（═O）-O或-0-C（═O）-；D是CH或N；R4为，例如，H，卤素，OH，SH，CN，硝基，C1-C6烷基或C1-C6卤代烷基；R5是，例如，C1-C12烷基，C3-C8环烷基或-N（R7）2；R7为H，C1-C6烷基，C1-C3卤代烷基，C1-C6烷基羰基，C1-C3卤代烷基羰基，C1-C6烷氧羰基，C3-C8环烷基，C3-C8环烷基羰基或甲酰基；k为0，1，2，3或4；m为1或2；q为0，1或2；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，每种情况下均为自由形式或盐形式，制备这些化合物的方法及其用途，所述活性成分已从这些化合物中选择，并且是农药组合物和农业化学上可接受的盐，制备这些组合物的方法及其用途，用于处理这些组合物的植物繁殖材料，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：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。
• Dihalo-allyloxy-phenol derivatives having pesticidal activity
  申请人：Zambach Werner

  公开号：US20060014806A1

  公开（公告）日：2006-01-19

  Compounds of formula (I), wherein A 1 and A 2 are each independently of the other a bond or a C 1 -C 6 alkylene bridge; A 3 is a C 1 -C 6 alkylene bridge; X 1 and X 2 are each independently of the other fluorine, chlorine or bromine; Y is O, NR 7 , S, SO or SO 2 ; R 1 , R 2 and R 3 are each independently of the others, for example, H, halogen, OH, SH, CN, nitro, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 1 -C 6 alkylcarbonyl or C 2 -C 6 alkenyl; Q is O, NR 5 , S, SO or SO 2 ; W is, for example, O, NR 5 or SO; T is for example, a bond, O or NR 5 ; D is CH or N; R 4 is, for example, H, halogen, OH, SH, CN or nitro; R 5 and R 7 are, for example, H, C 1 -C 6 alkyl or C 1 -C 3 haloalkyl; k is 1, 2, 3 or 4; m is 1 or 2; R 10 is a radical which contains 0, N or S; R 11 is, for example, H, C 1 -C 12 alkyl or a radical which contains from one to three hetero atoms selected from O, N and S; or R 11 together with R 12 is a bond; R 12 is, for example, H, C 1 -C 6 alkyl, halo-C 1 -C 6 alkyl or C 1 -C 6 alkoxy-C 1 -C 6 -alkyl; and, where applicable, their possible E/Z isomeric mixtures isomers, EQ isomeric mixtures and/or tautomers, in each case in free from 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.

  化合物的公式（I），其中A1和A2分别独立于其他的是一个键或C1-C6烷基桥；A3是C1-C6烷基桥；X1和X2分别独立于其他的是氟，氯或溴；Y是O，NR7，S，SO或SO2；R1，R2和R3分别独立于其他的，例如H，卤素，OH，SH，CN，硝基，C1-C6烷基，C1-C6卤代烷基，C1-C6烷基羰基或C2-C6烯基；Q是O，NR5，S，SO或SO2；W是例如O，NR5或SO；T是例如一个键，O或NR5；D是CH或N；R4是例如H，卤素，OH，SH，CN或硝基；R5和R7是例如H，C1-C6烷基或C1-C3卤代烷基；k是1，2，3或4；m是1或2；R10是一个包含0，N或S的基团；R11是例如H，C1-C12烷基或包含O，N和S中的一到三个杂原子的基团；或R11和R12一起是一个键；R12是例如H，C1-C6烷基，卤代C1-C6烷基或C1-C6烷氧基-C1-C6-烷基；以及，适用时，它们可能的E / Z异构混合物，EQ异构混合物和/或互变异构体，在无盐或盐形式下，制备这些化合物的方法及其用途，从这些化合物中选择的活性成分或其农药学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。