3-(4-Nitrophenyl)-3,4-dihydronaphthalen-1(2H)-one | 90035-35-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(4-Nitrophenyl)-3,4-dihydronaphthalen-1(2H)-one
• 英文别名: 3-(4-nitrophenyl)-3,4-dihydro-2H-naphthalen-1-one
• CAS: 90035-35-1
• 化学式: C16H13NO3
• 分子量: 267.28
• InChiKey: LJXQMISDXSUPAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Anti-coagulants of the 4-hydroxycoumarin type, the preparation thereof, and rodenticidal compositions (baits) comprising such anti-coagulants
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0098629A1

  公开（公告）日：1984-01-18

  Compounds having blood-anticoagulant properties of the general molecular formula: in which Z represents a halogen atom, preferably a chlorine atom, and n ist 0, 1 or 2 and R4 represents either (1) a grouping which comprises a phenylene radical attached directly or indirectly to the tetralin ring and having in the para position (with respect to such attachment) an electron-withdrawing atom or group whose rotational volume substantially does not exceed that of a phenyl group and which forms together with said phenylene radical a polarisable structure, or (2) a grouping selected from: or (3) a grouping which comprises a phenylene radical attached directly to the tetralin ring and having In the para position (with respect to such attachment) a substituted furanyl or thiophenyl radical attached thereto directly or through oxygen and/or methylene, said furanyl or thiophenyl radical having such an electron-withdrawing atom or group as a substituent in a position forming with the furanyl or thiophenyl radical a polarisable structure. Compounds of the type (1) in which R4 contains two phenylene radicals linked essentially linearly by an aliphatic chain comprising a methylene radical or radicals and optionally at least one oxygen or sulphur atom being preferred. Also included are the processes for the preparation of such compound; rodenticidal compositions containing them; and a method for controlling rodents by applying such a composition.

  具有一般分子式的血液抗凝特性的化合物： 其中 Z 代表卤素原子，最好是氯原子，n 是 0、1 或 2，R4 代表 (1) 由直接或间接连接到四氢萘环上的亚苯基基团组成的基团，该基团在对位上(相对于这种连接) 具有一个其旋转体积基本上不超过苯基旋转体积的抽电子原子或基团，该原子或基团与所述亚苯基基团一起形成可极化结构，或 (2) 选自以下的基团： 或 (3) 由直接连接到四氢萘环上的亚苯基基团组成的基团，该基团在对位（相对于该连接）上直接或通过氧和/或亚甲基连接有取代的呋喃基或噻吩基，所述呋喃基或噻吩基在与呋喃基或噻吩基一起形成可极化结构的位置上具有作为取代基的这样的电子撤回原子或基团。优选 (1) 型化合物，其中 R4 含有两个亚苯基，这两个亚苯基通过由一个或多个亚甲基和至少一个氧原子或硫原子组成的脂肪族链基本线性连接。 此外，还包括制备此类化合物的工艺；含有此类化合物的杀鼠组合物；以及通过施用此类组合物控制啮齿动物的方法。
• US4520007A
  申请人：——

  公开号：US4520007A

  公开（公告）日：1985-05-28