2-acetyl-5-[2-(4-trifluoromethylphenylsulfinyl)ethyl]cyclohexane-1,3-dione | 122659-66-9

• 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: 2-acetyl-5-[2-(4-trifluoromethylphenylsulfinyl)ethyl]cyclohexane-1,3-dione
• 英文别名: 2-acetyl-5-[2-[4-(trifluoromethyl)phenyl]sulfinylethyl]cyclohexane-1,3-dione
• CAS: 122659-66-9
• 化学式: C₁₇H₁₇F₃O₄S
• 分子量: 374.381
• InChiKey: WIMKPPBBDQBUKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  87.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-acetyl-5-[2-(4-trifluoromethylphenylthio)ethyl]cyclohexane-1,3-dione 、 双氧水 以 溶剂黄146 为溶剂， 生成 2-acetyl-5-[2-(4-trifluoromethylphenylsulfinyl)ethyl]cyclohexane-1,3-dione
  参考文献：
  名称：

  Certain pyridyl thio or phenyl thio-E thane-1,3-cyclohexane

  摘要：

  一种由通式（I）表示的新型环己烷化合物，其中R.sup.1代表氢原子或（C.sub.1 -C.sub.6）烷基或（C.sub.1 -C.sub.4）烷氧甲基基团，R.sup.2代表（C.sub.1 -C.sub.12）烷基，（C.sub.3 -C.sub.6）烯基，（C.sub.3 -C.sub.6）炔基，（C.sub.3 -C.sub.6）环烷基甲基，卤代（C.sub.3 -C.sub.6）烯基，氰基（C.sub.1 -C.sub.4）烷基，（C.sub.1 -C.sub.4）烷氧甲基，（C.sub.1 -C.sub.4）烷硫甲基或苄基，R.sup.3代表氢原子或甲基基团，R.sup.4代表氢原子或甲基基团，R.sup.5是氢原子或甲基基团，当R.sup.5是氢原子时，R.sup.6是氢原子或（C.sub.1 -C.sub.4）烷氧羰基团，当R.sup.5是甲基基团时，R.sup.6是氢原子，X代表由CH式或氮原子表示的基团，Y代表氢或卤原子，Z代表三氟甲基，三氟甲氧基或1,1,2,2-四氟乙氧基基团，n为0、1或2的整数，以及其金属盐、铵盐和有机铵盐，其生产和含有其作为活性成分的除草剂。

  公开号：

  US04789396A1

文献信息

• Certain aromatic or heterocyclic mercapto-alkylene-cyclohexene dione
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04981971A1

  公开（公告）日：1991-01-01

  A novel cyclohexane compound represented by the general formula (I), ##STR1## wherein R.sup.1 represents a hydrogen atom or a (C.sub.1 -C.sub.6)alkyl or (C.sub.1 -C.sub.4)alkoxymethyl group, R.sup.2 represents a (C.sub.1 -C.sub.12)-alkyl, (C.sub.3 -C.sub.6)alkenyl, (C.sub.3 -C.sub.6)alkynyl, (C.sub.3 -C.sub.6)cycloalkylmethyl, halo(C.sub.3 -C.sub.6)alkenyl, cyano(C.sub.1 -C.sub.4)alkyl, (C.sub.1 -C.sub.4)alkoxymethyl, (C.sub.1 -C.sub.4)alkylthiomethyl or benzyl group, R.sup.3 represents a hydrogen atom or a methyl group, R.sup.4 represents a hydrogen atom or a methyl group, R.sup.5 is a hydrogen atom or a methyl group, and when R.sup.5 is a hydrogen atom, R.sup.6 is a hydrogen atom or a (C.sub.1 -C.sub.4)-alkoxycarbonyl group, and when R.sup.5 is a methyl group, R.sup.6 is a hydrogen atom, X represents a group represented by the formula CH or a nitrogen atom, Y represents a hydrogen or halogen atom, Z represents a trifluoromethyl, trifluoromethoxy or 1,1,2,2-tetrafluoroethoxy group and n is an integer of 0, 1 or 2 and its meal salt, ammonium salt and organic ammonium salt, its production and herbicides containing it as an active ingredient.

  一种新的环己烷化合物，其通式表示为(I)：##STR1## 其中，R.sup.1代表氢原子或(C.sub.1-C.sub.6)烷基或(C.sub.1-C.sub.4)烷氧甲基基团，R.sup.2代表(C.sub.1-C.sub.12)烷基，(C.sub.3-C.sub.6)烯基，(C.sub.3-C.sub.6)炔基，(C.sub.3-C.sub.6)环烷甲基，卤代(C.sub.3-C.sub.6)烯基，氰基(C.sub.1-C.sub.4)烷基，(C.sub.1-C.sub.4)烷氧甲基，(C.sub.1-C.sub.4)烷硫甲基或苄基；R.sup.3代表氢原子或甲基基团，R.sup.4代表氢原子或甲基基团，R.sup.5是氢原子或甲基基团，当R.sup.5是氢原子时，R.sup.6是氢原子或(C.sub.1-C.sub.4)烷氧羰基基团，当R.sup.5为甲基基团时，R.sup.6为氢原子，X代表由公式CH或氮原子表示的基团，Y代表氢原子或卤素原子，Z代表三氟甲基，三氟甲氧基或1,1,2,2-四氟乙氧基基团，n为0、1或2的整数，以及其金属盐、铵盐和有机铵盐、其制备方法和含有其作为活性成分的除草剂。
• Cyclohexane herbicides
  申请人：Sumitomo Chemical Company, Limited

  公开号：US05021579A1

  公开（公告）日：1991-06-04

  A novel cyclohexane compound represented by the general formula (I), ##STR1## wherein R.sup.1 represents a hydrogen atom or a (C.sub.1 -C.sub.6)alkyl or (C.sub.1 -C.sub.4)alkoxymethyl group, R.sup.2 represents a (C.sub.1 -C.sub.12)alkyl, (C.sub.3 -C.sub.6)alkenyl, (C.sub.3 -C.sub.6)alkynyl, (C.sub.3 -C.sub.6)cycloalkylmethyl, halo(C.sub.3 -C.sub.6)alkenyl, cyano(C.sub.1 -C.sub.4)alkyl, (C.sub.1 -C.sub.4)alkoxymethyl, (C.sub.1 -C.sub.4)alkylthiomethyl or benzyl group, R.sup.3 represents a hydrogen atom or a methyl group, R.sup.4 represents a hydrogen atom or a methyl group, R.sup.5 is a hydrogen atom or a methyl group, and when R.sup.5 is a hydrogen atom, R.sup.6 is a hydrogen atom or a (C.sub.1 -C.sub.4)alkoxycarbonyl group, and when R.sup.5 is a methyl group, R.sup.6 is a hydrogen atom, X represents a group represented by the formula CH or a nitrogen atom, Y represents a hydrogen or halogen atom, Z represents a trifluoromethyl, trifluoromethoxy or 1,1,2,2-tetrafluoroethoxy group and n is an integer of 0, 1 or 2 and its metal salt, ammonium salt and organic ammonium salt, its production and herbicides containing it as an active ingredient.

  一种新的环己烷化合物，其通式为（I），其中R1代表氢原子或（C1-C6）烷基或（C1-C4）烷氧甲基基团，R2代表（C1-C12）烷基，（C3-C6）烯基，（C3-C6）炔基，（C3-C6）环烷基甲基，卤代（C3-C6）烯基，氰基（C1-C4）烷基，（C1-C4）烷氧甲基，（C1-C4）烷硫甲基或苄基，R3代表氢原子或甲基基团，R4代表氢原子或甲基基团，R5是氢原子或甲基基团，当R5是氢原子时，R6是氢原子或（C1-C4）烷氧羰基基团，当R5是甲基基团时，R6是氢原子，X代表公式CH或氮原子表示的基团，Y代表氢原子或卤原子，Z代表三氟甲基，三氟甲氧基或1,1,2,2-四氟乙氧基基团，n是0，1或2的整数，以及其金属盐，铵盐和有机铵盐，其制备方法和含有其作为活性成分的除草剂。
• US4789396A
  申请人：——

  公开号：US4789396A

  公开（公告）日：1988-12-06
• US4981971A
  申请人：——

  公开号：US4981971A

  公开（公告）日：1991-01-01
• US5021579A
  申请人：——

  公开号：US5021579A

  公开（公告）日：1991-06-04