2-(2-chloro-4-trifluoromethylphenoxy)-4-methyl phenol

• 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-(2-chloro-4-trifluoromethylphenoxy)-4-methyl phenol
• 英文别名: 2-[2-Chloro-4-(trifluoromethyl)phenoxy]-4-methylphenol
• 化学式: C₁₄H₁₀ClF₃O₂
• 分子量: 302.68
• InChiKey: KHAIDJBKVUSZKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,4-二氯三氟甲苯 、 铜 、 3,4-二羟基甲苯 以 六甲基磷酰三胺 为溶剂， 生成 2-(2-chloro-4-trifluoromethylphenoxy)-4-methyl phenol 、 2-(2-chloro-4-trifluoromethylphenoxy)-5-methyl phenol
  参考文献：
  名称：

  Ketonitrile derivatives and antibacterial agent and drugs containing the

  摘要：

  本发明涉及一种由以下式（1）表示的酮腈衍生物：##STR1##（其中R.sup.1是氢原子或较低的烷基基团；R.sup.2、R.sup.3、R.sup.4和R.sup.5中的每一个（它们可以相同也可以不同）是氢原子、卤原子、硝基基团、较低的烷基基团、较低的烷氧基基团或取代或未取代的苯氧基团；X是取代或未取代的芳香烃基团或取代或未取代的杂环基团；Y是取代或未取代的芳香烃基团、取代或未取代的杂环基团、已被取代或未被取代的芳香烃基团取代的羰基基团、已被取代或未被取代的杂环基团取代的羰基基团、N，N-二取代的氨基甲酰基团，或已被杂环基团取代的烷基基团）或其盐，以及一种抗菌剂和一种含有作为有效成分的酮腈衍生物或其盐的药物。该化合物对革兰氏阳性菌和革兰氏阴性菌表现出优异的抗菌活性。

  公开号：

  US05968977A1

文献信息

• ANTIBACTERIAL AGENT
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP0761215A1

  公开（公告）日：1997-03-12

  The present invention provides an antibacterial agent containing, as an active component, a ketonitrile derivative represented by the following formula (1) or a salt thereof: (wherein R1 is a hydrogen atom or lower alkyl, each of R2, R3, R4, and R5, which are identical to or different from one another, is a hydrogen atom, a halogen atom, nitro, lower alkyl, lower alkoxyl, or substituted or unsubstituted phenoxy, X is a substituted or unsubstituted aromatic hydrocarbon group or a substituted or unsubstituted heterocyclic group, and Y is a substituted or unsubstituted aromatic hydrocarbon group, a substituted or unsubstituted heterocyclic group, a carbonyl group substituted by a substituted or unsubstituted aromatic hydrocarbon group or by a substituted or unsubstituted heterocyclic group, or a N,N-di-substituted carbamoyl group). This compound possesses excellent antibacterial activity against both gram-positive and gram-negative bacteria.

  本发明提供了一种抗菌剂，其活性成分含有下式(1)代表的酮腈衍生物或其盐： (其中 R1 是氢原子或低级烷基，R2、R3、R4 和 R5（它们彼此相同或不同）各自是氢原子、卤素原子、硝基、低级烷基、低级烷氧基或取代或未取代的苯氧基，X 是取代或未取代的芳烃基团或取代或未取代的杂环基团、和 Y 是取代或未取代的芳香烃基、取代或未取代的杂环基、被取代或未取代的芳香烃基或取代或未取代的杂环基取代的羰基或 N,N-二取代氨基甲酰基）。这种化合物对革兰氏阳性菌和革兰氏阴性菌都有很好的抗菌活性。
• KETONITRILE DERIVATIVES AND ANTIBACTERIAL AGENT AND DRUG CONTAINING THE SAME
  申请人：TOKUYAMA CORPORATION

  公开号：EP0863132A1

  公开（公告）日：1998-09-09

  The present invention is directed to a ketonitrile derivative represented by the following formula (1): (wherein R1 is a hydrogen atom or a lower alkyl group; each of R2, R3, R4, and R5, which may be identical to or different from each other, is a hydrogen atom, a halogen atom, a nitro group, a lower alkyl group, a lower alkoxyl group, or a substituted or unsubstituted phenoxy group; X is a substituted or unsubstituted aromatic hydrocarbon group or a substituted or unsubstituted heterocyclic group; Y is a substituted or unsubstituted aromatic hydrocarbon group, a substituted or unsubstituted heterocyclic group, a carbonyl group that has been substituted by a substituted or unsubstituted aromatic hydrocarbon group, a carbonyl group that has been substituted by a substituted or unsubstituted heterocyclic group, an N,N-di-substituted carbamoyl group, or an alkyl group that has been substituted by a heterocyclic group) or a salt thereof, and to an antibacterial agent as well as to a drug containing, as the effective ingredient, the ketonitrile derivative or the salt. This compound exhibits excellent antibacterial activity against gram-positive bacteria and gram-negative bacteria.

  本发明涉及由下式(1)代表的酮腈衍生物： (其中 R1 是氢原子或低级烷基；R2、R3、R4 和 R5（它们可以彼此相同或不同）各自是氢原子、卤素原子、硝基、低级烷基、低级烷氧基或取代或未取代的苯氧基；X 是取代或未取代的芳烃基团或取代或未取代的杂环基团；Y 是取代或未取代的芳香烃基、取代或未取代的杂环基、被取代或未取代的芳香烃基取代的羰基、被取代或未取代的杂环基取代的羰基、N,N-二取代氨基甲酰基或被杂环基取代的烷基）或其盐，以及抗菌剂和含有酮腈衍生物或其盐作为有效成分的药物。这种化合物对革兰氏阳性菌和革兰氏阴性菌都有很好的抗菌活性。
• US5968977A
  申请人：——

  公开号：US5968977A

  公开（公告）日：1999-10-19
• Ketonitrile derivatives and antibacterial agent and drugs containing the
  申请人：Tokuyama Corporation

  公开号：US05968977A1

  公开（公告）日：1999-10-19

  The present invention is directed to a ketonitrile derivative represented by the following formula (1): ##STR1## (wherein R.sup.1 is a hydrogen atom or a lower alkyl group; each of R.sup.2, R.sup.3, R.sup.4, and R.sup.5, which may be identical to or different from each other, is a hydrogen atom, a halogen atom, a nitro group, a lower alkyl group, a lower alkoxyl group, or a substituted or unsubstituted phenoxy group; X is a substituted or unsubstituted aromatic hydrocarbon group or a substituted or unsubstituted heterocyclic group; Y is a substituted or unsubstituted aromatic hydrocarbon group, a substituted or unsubstituted heterocyclic group, a carbonyl group that has been substituted by a substituted or unsubstituted aromatic hydrocarbon group, a carbonyl group that has been substituted by a substituted or unsubstituted heterocyclic group, an N,N-di-substituted carbamoyl group, or an alkyl group that has been substituted by a heterocyclic group) or a salt thereof, and to an antibacterial agent as well as to a drug containing, as the effective ingredient, the ketonitrile derivative or the salt. This compound exhibits excellent antibacterial activity against gram-positive bacteria and gram-negative bacteria.

  本发明涉及一种由以下式（1）表示的酮腈衍生物：##STR1##（其中R.sup.1是氢原子或较低的烷基基团；R.sup.2、R.sup.3、R.sup.4和R.sup.5中的每一个（它们可以相同也可以不同）是氢原子、卤原子、硝基基团、较低的烷基基团、较低的烷氧基基团或取代或未取代的苯氧基团；X是取代或未取代的芳香烃基团或取代或未取代的杂环基团；Y是取代或未取代的芳香烃基团、取代或未取代的杂环基团、已被取代或未被取代的芳香烃基团取代的羰基基团、已被取代或未被取代的杂环基团取代的羰基基团、N，N-二取代的氨基甲酰基团，或已被杂环基团取代的烷基基团）或其盐，以及一种抗菌剂和一种含有作为有效成分的酮腈衍生物或其盐的药物。该化合物对革兰氏阳性菌和革兰氏阴性菌表现出优异的抗菌活性。