[2-(2,4-二氯苯基)-2-(1H-咪唑-1-基甲基)-1,3-二氧戊环-4-基]甲基4-甲基苯磺酸酯 | 85650-50-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [2-(2,4-二氯苯基)-2-(1H-咪唑-1-基甲基)-1,3-二氧戊环-4-基]甲基4-甲基苯磺酸酯
• 英文名称: Toluene-4-sulfonic acid 2-(2,4-dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethyl ester
• 英文别名: cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl p-Tolylsulfonate；[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
• CAS: 85650-50-6
• 化学式: C₂₁H₂₀Cl₂N₂O₅S
• 分子量: 483.372
• InChiKey: WAXNIYHZFWRPGS-UHFFFAOYSA-N

物化性质

• 沸点：
  665.7±55.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  88
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (Z)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone oxime 、 [2-(2,4-二氯苯基)-2-(1H-咪唑-1-基甲基)-1,3-二氧戊环-4-基]甲基4-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， 以59%的产率得到1-(2,4-Dichloro-phenyl)-2-imidazol-1-yl-ethanone O-[2-(2,4-dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethyl]-oxime
  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：

  对甲苯磺酰氯 、 2-(2,4-二氯苯基)-2-(1H-咪唑-1-甲基)-1,3-二氧戊环-4-甲醇 在 吡啶 作用下， 以89%的产率得到[2-(2,4-二氯苯基)-2-(1H-咪唑-1-基甲基)-1,3-二氧戊环-4-基]甲基4-甲基苯磺酸酯
  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

文献信息

• Novel azole or triazole derivatives, method for preparing same and use thereof as fungicides
  申请人：Babin Didier

  公开号：US20050043540A1

  公开（公告）日：2005-02-24

  The invention concerns novel azole or triazole derivatives of formula (I), wherein X, Ar 1 , Ar 2 , Ar 3 , A, B, and R 1 are as defined herein, their preparation method and their use as fungicides.

  这项发明涉及式(I)的新型唑类或三唑类衍生物，其中X、Ar1、Ar2、Ar3、A、B和R1如本文所定义，它们的制备方法以及它们作为杀菌剂的用途。
• US6946460B2
  申请人：——

  公开号：US6946460B2

  公开（公告）日：2005-09-20
• 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.