1-(2,4-dichloro-phenyl)-2-[1,2,4]triazol-1-yl-ethanone oxime | 69711-71-3

• 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: 1-(2,4-dichloro-phenyl)-2-[1,2,4]triazol-1-yl-ethanone oxime
• 英文别名: 1-(2,4-Dichlorophenyl)-1-oximino-2-(1,2,4-triazol-1-yl)-ethane；N-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]hydroxylamine
• CAS: 69711-71-3
• 化学式: C₁₀H₈Cl₂N₄O
• mdl: MFCD00551659
• 分子量: 271.106
• InChiKey: CNCXXOKGVGYHLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  63.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2,4-dichloro-phenyl)-2-[1,2,4]triazol-1-yl-ethanone oxime 、 2,2-二甲基-1,3-二氧环戊基-4-甲醇对甲基苯磺酸酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 1-(2,4-dichlorophenyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine 、 (E)-1-(2,4-dichlorophenyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine
  参考文献：
  名称：

  Synthesis and antifungal activity of novel (1-aryl-2-heterocyclyl)ethylideneaminooxymethyl-substituted dioxolanes

  摘要：

  A novel series of (1-aryl-2-heterocyclyl)ethylideneaminooxymethyl-substituted dioxolanes IIIa-n were synthesized by condensation of substituted 1,3-dioxolan-4-ylmethyl p-toluenesulfonates 4 with 1-(hydroxyimino)-1-aryl-2-heterocyclylethanes 5. Compounds IIIa-n were found to have effective in vitro antifungal activity when evaluated against the pathogenic fungi Candida albicans, Aspergillus flavus and Fusarium solani with MIC (minimum inhibitory concentration) values of 10 mu g . ml(-1) for IIIa-l and 5 mu g . ml(-1) for IIIm,n.

  DOI：

  10.1016/0223-5234(96)88277-8
• 作为产物：
  描述：

  1-(2,4-二氯l苯基)-2-(1H-1,2,4-噻唑-1-基)-乙酮 、 Hydroxyammonium hydrochloride 、 水 以 乙醇 为溶剂， 反应 5.0h， 以51 g (45% of theory) of 1-(2,4-dichlorophenyl)-1-oximino-2-(1,2,4-triazol-1-yl)-ethane of melting point 165°-170° C. were obtained的产率得到1-(2,4-dichloro-phenyl)-2-[1,2,4]triazol-1-yl-ethanone oxime
  参考文献：
  名称：

  Combating fungi with

  摘要：

  化合物名称为1-(2-氯苯基)-1-((二)卤代苯基氧肟基)-2-(1,2,4-三唑-1-基)-乙烷，其化学式为##STR1## 其中X代表氢、卤素或其生理可接受酸盐或金属盐复合物，具有杀真菌性能。

  公开号：

  US04309434A1

文献信息

• Combating fungi with 1-phenyl-1-oximino-2-(1,2,4-triazol-1-yl)-ethanes
  申请人：Bayer Aktiengesellschaft

  公开号：US04264772A1

  公开（公告）日：1981-04-28

  A 1-phenyl,1-oximino-2-(1,2,4-triazol-1-yl)-ethane of the formula ##STR1## in which R is halogen, alkyl, alkoxy, alkylthio, alkylsulphonyl, halogenoalkyl, nitro, cyano, optionally substituted phenyl or optionally substituted phenoxy, R' is alkyl, alkenyl, alkynyl, optionally substituted benzyl or optionally substituted styryl, and n is 0, 1, 2 or 3, or a salt thereof with a physiologically acceptable acid or a metal salt complex thereof which possesses fungicidal properties.

  公式如下：##STR1## 其中R为卤素、烷基、烷氧基、烷硫基、烷基磺酰基、卤代烷基、硝基、氰基、可选取代苯基或可选取代苯氧基，R'为烷基、烯基、炔基、可选取代苄基或可选取代苯乙烯基，n为0、1、2或3，或其与生理学上可接受的酸盐或金属盐络合物，具有杀真菌作用。
• Fungicidal substituted cyclopropyl oxime ethers
  申请人：Bayer Aktiengesellschaft

  公开号：US04797412A1

  公开（公告）日：1989-01-10

  Fungicidally active substituted cyclopropyl oxime ethers of the formula ##STR1## in which Z represents a nitrogen atom or the CH group, R represents a optionally substituted phenyl, or represents the grouping ##STR2## in which R.sup.4 represents hydrogen or optionally substituted phenyl, R.sup.1, R.sup.2 and R.sup.3 independently of one another represent hydrogen, methyl or chlorine and n represents an integer from 1 to 6, or addition products thereof with acids or metal salts.

  公式为 ##STR1## 的具有杀菌活性的取代环丙基肟醚，其中Z代表氮原子或CH基团，R代表可选择取代的苯基，或代表 ##STR2## 其中R.sup.4代表氢或可选择取代的苯基，R.sup.1，R.sup.2和R.sup.3独立地代表氢，甲基或氯，n代表1到6的整数，或其与酸或金属盐的加成物。
• Combating fungi with
  申请人：Bayer Aktiengesellschaft

  公开号：US04309434A1

  公开（公告）日：1982-01-05

  A 1-(2-chlorophenyl)-1-((di)-halogenbenzyloximino)-2-(1,2,4-triazol-1-yl)-et hane of the formula ##STR1## in which X is hydrogen or halogen or a salt thereof with a physiologically acceptable acid or a metal salt complex thereof which possesses fungicidal properties.

  化合物名称为1-(2-氯苯基)-1-((二)卤代苯基氧肟基)-2-(1,2,4-三唑-1-基)-乙烷，其化学式为##STR1## 其中X代表氢、卤素或其生理可接受酸盐或金属盐复合物，具有杀真菌性能。
• Synthesis and antifungal activity of novel (1-aryl-2-heterocyclyl)ethylideneaminooxymethyl-substituted dioxolanes
  作者：H Baji、M Flammang、T Kimny、F Gasquez、PL Compagnon、A Delcourt

  DOI：10.1016/0223-5234(96)88277-8

  日期：1995.1

  A novel series of (1-aryl-2-heterocyclyl)ethylideneaminooxymethyl-substituted dioxolanes IIIa-n were synthesized by condensation of substituted 1,3-dioxolan-4-ylmethyl p-toluenesulfonates 4 with 1-(hydroxyimino)-1-aryl-2-heterocyclylethanes 5. Compounds IIIa-n were found to have effective in vitro antifungal activity when evaluated against the pathogenic fungi Candida albicans, Aspergillus flavus and Fusarium solani with MIC (minimum inhibitory concentration) values of 10 mu g . ml(-1) for IIIa-l and 5 mu g . ml(-1) for IIIm,n.
• Fungicidal novel substituted phenethyl-triazolyl derivatives
  申请人：Bayer Aktiengesellschaft

  公开号：US04921870A1

  公开（公告）日：1990-05-01

  A fungicidally active substituted phenethyl-triazolyl derivative of the formula ##STR1## in which X.sup.1 and X.sup.2 each independently is halogen or halogenoalkyl, and one of them may also be hydrogen, Y is >C.dbd.N--O--R or >CH--O--R, R is phenoxyethyl which is optionally substituted in the phenyl part, or an addition product thereof with an acid or salt.

  一种具有杀真菌活性的取代苯乙基-三唑基衍生物，其化学式为##STR1## 其中X.sup.1和X.sup.2各自独立地是卤素或卤代烷基，其中一个也可以是氢，Y是>C.dbd.N--O--R或>CH--O--R，R是苯氧乙基，其在苯基部分可以选择性地被取代，或者与酸或盐形成的加成物。