3-(4-trifluoromethylphenylthio)propionaldehyde | 114449-75-1

• 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: 3-(4-trifluoromethylphenylthio)propionaldehyde
• 英文别名: 3-(4-trifluoromethylphenylthio)propanal；3-[4-(trifluoromethyl)phenyl]sulfanylpropanal
• CAS: 114449-75-1
• 化学式: C₁₀H₉F₃OS
• 分子量: 234.242
• InChiKey: YGPSFEXVURQGHO-UHFFFAOYSA-N

物化性质

• 沸点：
  279.4±40.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(4-trifluoromethylphenylthio)propionaldehyde 在 4-二甲氨基吡啶 、 sodium methylate 、 sodium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 氯仿 、 水 、 甲苯 为溶剂， 反应 15.0h， 生成 3-Hydroxy-5-[2-[4-(trifluoromethyl)phenyl]sulfanylethyl]-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
  参考文献：
  名称：

  HERBICIDE COMPOSITION

  摘要：

  提供一种除草剂组合物，含有由化学式（I）表示的环己酮化合物和至少一种来自A组的化合物。 A组：包括苯氧草酮、氯喹托西酮-甲醇、氰甲胺、二氯胺、乙基氟唑醇、氟唑胺、氟唑胺、呋唑胺、二乙基甲基苯酯、奥萨贝特林、乙基异氧苯酮、环丙磺胺、氟苯咪、1,8-萘酐和AD-67。

  公开号：

  US20150289505A1
• 作为产物：
  描述：

  4-(三氟甲基)苯硫酚 、 丙烯醛 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 3-(4-trifluoromethylphenylthio)propionaldehyde
  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

• CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME
  申请人：Nakashima Yosuke

  公开号：US20140228219A1

  公开（公告）日：2014-08-14

  The present invention provides a compound having an excellent efficacy for controlling weeds. A cyclohexanone compound of the formula (I): wherein m is an integer of 1, 2 or 3; n is an integer of any one of 1 to 5; X represents CH 2 , O, S, S(O) or S(O) 2 ; R 1 represents a hydrogen atom or a methyl group; R 2 and R 3 represents a hydrogen atom, a C 1-6 alkyl group and the like; R 4 represents a C 6-10 aryl group or a five- to six-membered heteroaryl group; G represents a hydrogen atom and the like; Z represents a halogen atom, a cyano group, a nitro group, a phenyl group, a C 1-6 alkyl group and the like; is useful as an active ingredient for herbicides.

  本发明提供了一种对控制杂草具有优异功效的化合物。公式（I）的环己酮化合物：其中m是1、2或3的整数；n是1到5中的任意整数；X代表CH2、O、S、S(O)或S(O)2；R1代表氢原子或甲基基团；R2和R3代表氢原子、C1-6烷基基团等；R4代表C6-10芳基或五元至六元杂芳基；G代表氢原子等；Z代表卤素原子、氰基、硝基、苯基、C1-6烷基基团等；作为除草剂的活性成分是有用的。
• Beta-hydroxyketone and its production
  申请人：Sumitomo Chemical Company, Limited

  公开号：US05041679A1

  公开（公告）日：1991-08-20

  Compounds of the present invention are represented by the formula, ##STR1## wherein X represents a lower alkyl, lower alkoxy, lower haloalkyl or lower haloalkoxy group or a halogen atom, and R.sup.1 and R.sup.2, which may be the same or different, represent a hydrogen atom or a methyl group. They are useful intermediates for preparing herbicidal compounds.

  本发明的化合物由以下公式表示：##STR1## 其中X代表较低的烷基、较低的烷氧基、较低的卤代烷基或较低的卤代烷氧基或卤素原子，R1和R2代表氢原子或甲基，它们可相同也可不同。它们是制备除草剂化合物的有用中间体。
• 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。
• .beta.-hydroxyketone and its production
  申请人：Sumitomo Chemical Company, Limited

  公开号：US05101076A1

  公开（公告）日：1992-03-31

  Compounds of the present invention are represented by the formula, ##STR1## wherein X represents a lower alkyl, lower alkoxy, lower haloalkyl or lower haloalkoxy group or a halogen atom, and R.sup.1 and R.sup.2, which may be the same or different, represent a hydrogen atom or a methyl group. They are useful intermediates for preparing herbicidal compounds.

  本发明的化合物由以下公式表示：##STR1## 其中X代表低烷基，低烷氧基，低卤代烷基或低卤代烷氧基或卤素原子，而R.sup.1和R.sup.2可能相同或不同，代表氢原子或甲基基团。它们是制备除草剂化合物的有用中间体。
• DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150299156A1

  公开（公告）日：2015-10-22

  The present invention provides a compound having an excellent efficacy for controlling weeds. A dihydropyrone compound of formula (I): wherein m is 1, 2 or 3; n is an integer of any one of 1 to 5; X represents O, S, S(O) or S(O) 2 ; R 1 represents a hydrogen atom or a methyl group; R 2 and R 3 represents a hydrogen atom, an C 1-6 alkyl group and the like; when X represents S, S(O) or S(O) 2 , R 4 represents an C 1-6 alkyl group, a C 1-6 haloalkyl group, an C 6-10 aryl group or a five- to six-membered heteroaryl group, and X represents O, S, S(O) or S(O) 2 , R 4 represents an C 6-10 aryl group or a five- to six-membered heteroaryl group; G represents a hydrogen atom and the like; Z represents a halogen atom, a cyano group, a nitro group, a phenyl group, an C 1-6 alkyl group and the like; is useful as an active ingredient for herbicides.

  本发明提供了一种具有优异除草效果的化合物。该化合物为式（I）的二氢吡酮化合物：其中m为1、2或3；n为1至5的任一整数；X代表O、S、S（O）或S（O）2；R1代表氢原子或甲基基团；R2和R3代表氢原子、C1-6烷基基团等；当X代表S、S（O）或S（O）2时，R4代表C1-6烷基基团、C1-6卤代烷基基团、C6-10芳基基团或五元至六元杂环芳基基团，当X代表O、S、S（O）或S（O）2时，R4代表C6-10芳基基团或五元至六元杂环芳基基团；G代表氢原子等；Z代表卤原子、氰基、硝基、苯基、C1-6烷基基团等。该化合物可用作除草剂的活性成分。