1,3-二甲基-5-苯氧基吡唑-4-甲醛肟 | 149054-67-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,3-二甲基-5-苯氧基吡唑-4-甲醛肟
• 英文名称: 1,3-dimethyl-5-phenoxypyrazole-4-carbaldehyde oxime
• 英文别名: (NE)-N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylidene]hydroxylamine
• CAS: 149054-67-1
• 化学式: C₁₂H₁₃N₃O₂
• 分子量: 231.254
• InChiKey: AKGVMZJNWXUJBJ-MDWZMJQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  59.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-二甲基-5-苯氧基吡唑-4-甲醛肟 在 氢氧化钾 作用下， 以 水 、 二甲基亚砜 为溶剂， 以80%.的产率得到S-Ethyl 4-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyleneaminoxymethyl]benzothioate
  参考文献：
  名称：

  Pyrazole oxime derivatives and compositions

  摘要：

  一种由通式（I）表示的吡唑肟衍生物，可用作杀虫剂和杀菌剂，##STR1## 其中结构元素在规范中定义，并控制所述害虫的方法。通式（I）表示的化合物可以通过规范中披露的方法合成。

  公开号：

  US04843068A1
• 作为产物：
  描述：

  1,3-二甲基-5-苯氧基-4-醛基吡唑 在 sodium hydroxide 、 羟胺 作用下， 以 甲醇 为溶剂， 生成 1,3-二甲基-5-苯氧基吡唑-4-甲醛肟
  参考文献：
  名称：

  Identification of antitumor activity of pyrazole oxime ethers

  摘要：

  A series of pyrazole oxime ether derivatives were prepared and examined as cytotoxic agents. In particular, 5-phenoxypyrazole was comparable to doxorubicin, while exhibiting very potent cytotoxicity against XF 498 and HCT15. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.082

文献信息

• A pyrazole compound and its production and use
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0341048A1

  公开（公告）日：1989-11-08

  There are disclosed a pyrazole compound represented by the formula, wherein the substituents of R1 to R8 and the symbol Z have the specified meanings as described in the text, an insecticidal and acaricidal composition containing the same, use of said composition for control of insects and mites and a method of preparing said compound, and their intermediates.

  本发明公开了由式表示的吡唑化合物、 其中 R1 至 R8 的取代基和符号 Z 具有文中所述的特定含义、含有该化合物的杀虫和杀螨组合物、使用所述组合物防治昆虫和螨虫以及制备所述化合物及其中间体的方法。
• Pyrazole compounds, method for production thereof, use thereof and intermediates for production thereof
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0361827A1

  公开（公告）日：1990-04-04

  A pyrazole compound is represented by the formula, wherein R, is a hydrogen atom, or an alkyl or phenyl group; R2 is a hydrogen atom, or an alkyl or haloalkyl group; R3 is a hydrogen atom, or an alkyl or phenyl group; each of R4 and Rs, which may be the same or different, is a hydrogen atom or an alkyl group; Rs is a hydrogen atom, or an alkyl, haloalkyl, alkenyl, alkoxyalkyl, alkylthioalkyl, trialkylsilyl or dialkyl phenylsilyl group, or an optionally substituted cycloalkyl, cycloalkenyl, phenyl or pyridyl group; R7 is an alkyl, haloalkyl, alkenyl, haloalkenyl, alkynyl, haloalkynyl, alkoxyalkyl, alkylthioalkyl or mono or dialkylaminoalkyl group, or an optionally substituted cycloalkyl or cycloalkenyl group, or a group represented by (in which X is an oxygen or sulfur atom), or a group represented by (in which each of V's, which may be the same or different, is a hydrogen or halogen atom, or an alkyl, haloalkyl, alkoxyl, haloalkoxyl or methylenedioxy group, A is a nitrogen atom or a methine group, and n is an integer of from 1 to 5); and Z is an oxygen or sulfur atom. It has insecticidal, acaricidal and fungicidal properties. Methods for preparing it and intermediates used in such methods are also disclosed.

  一种吡唑化合物由式表示、 其中 R 是氢原子，或烷基或苯基；R2 是氢原子，或烷基或卤代烷基；R3 是氢原子，或烷基或苯基；R4 和 Rs（可以相同或不同）各自是氢原子或烷基；Rs 是氢原子，或烷基、卤代烷基、烯基、烷氧基烷基、烷硫基烷基、三烷基硅基或二烷基苯基硅基，或任选取代的环烷基、环烯基、苯基或吡啶基； R7 是烷基、卤代烷基、烯基、卤代烯基、炔基、卤代炔基、烷氧基烷基、烷硫基烷基或单烷基或二烷基氨基烷基，或任选取代的环烷基或环 烯基，或由以下各项表示的基团 (其中 X 为氧原子或硫原子）代表的基团，或由以下各项代表的基团 (其中每个 V（可以相同或不同）是氢原子或卤素原子，或烷基、卤代烷基、烷氧基、卤代烷氧基或亚甲基二氧基，A 是氮原子或甲基，n 是 1 至 5 的整数）；以及 Z 是氧原子或硫原子。 它具有杀虫、杀螨虫和杀真菌的特性。此外，还公开了其制备方法和用于此类方法的中间体。
• Pyrazoleoxime derivatives and insecticides, acaricides and fungicides
  申请人：UBE INDUSTRIES, LTD.

  公开号：EP0391685A1

  公开（公告）日：1990-10-10

  There are disclosed a compound represented by the formula: wherein R₁ represents hydrogen atom, a halogen atom or an alkyl group having 1 to 5 carbon atoms; R₂ repre­sents hydrogen atom or an alkyl group having 1 to 5 carbon atoms; R₃ represents an alkyl group having 1 to 8 carbon atoms, an alkenyl group having 3 to 5 carbon atoms, an alkynyl group having 3 to 5 carbon atoms or an aralkyl group which may be also substituted; R₄ represents hydrogen atom or an alkyl group having 1 to 5 carbon atoms; n represents an integer of 4 and when R₂ is an alkyl group, n represents an integer of 1 to 3; A represents an alkylene group having 1 to 5 carbon atoms; and X represents an oxygen atom or a sulfur atom and an insecticide, acaricide or fungicide comprising a com­pound of the formula (I) as the active ingredient.

  本发明公开了一种由式表示的化合物： 其中 R₁ 代表氢原子、卤素原子或具有 1 至 5 个碳原子的烷基；R₂ 代表氢原子或具有 1 至 5 个碳原子的烷基；R₃ 代表具有 1 至 8 个碳原子的烷基、具有 3 至 5 个碳原子的烯基、具有 3 至 5 个碳原子的炔基或可被取代的芳烷基；R₄ 代表氢原子或具有 1 至 5 个碳原子的烷基；n 代表 4 的整数，当 R₂ 是烷基时，n 代表 1 至 3 的整数；A 代表具有 1 至 5 个碳原子的亚烷基；X 代表氧原子或硫原子，以及 一种杀虫剂、杀螨剂或杀真菌剂，其活性成分包含式 (I) 化合物。
• A pyrazole oxime derivative and its production and use
  申请人：NIHON NOHYAKU CO., LTD.

  公开号：EP0234045B1

  公开（公告）日：1992-09-02
• IKEHYAMA, MASAYA;KADZIVARA, OSAMU
  作者：IKEHYAMA, MASAYA、KADZIVARA, OSAMU

  DOI：——

  日期：——