cis-2-(2,4-Difluorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolane-4-methanol | 133224-05-2

• 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: cis-2-(2,4-Difluorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolane-4-methanol
• 英文别名: [(2S,4R)-2-(2,4-difluorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
• CAS: 133224-05-2；134071-37-7；134071-38-8
• 化学式: C₁₄H₁₄F₂N₂O₃
• 分子量: 296.274
• InChiKey: HMHZEMWSUCKLLC-BXUZGUMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  56.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  cis-2-(2,4-Difluorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolane-4-methanol 以 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 反应 145.0h， 生成 1-[[(2R,4S)-2-(2,4-difluorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]imidazole
  参考文献：
  名称：

  Synthesis, antifungal activity and structure-activity relationships of 2-(alkyl or aryl)-2-(alkyl or polyazol-1-ylmethyl)-4-(polyazol-1-ylmethyl)-1, 3-dioxolanes

  摘要：

  A series of 2-(alkyl or aryl)-2-(alkyl or polyazol-1-ylmethyl)-4-(polyazol-1-ylmethyl)-1,3-dioxolanes Ia-u was synthesized and tested in vitro against pathogenic fungi in man, animals and plants: Candida albicans, Aspergillus flavus and Fusarium solani. Compounds Iq-t with two polyazol groups have an in vitro activity against these fungi with MIC (minimum inhibitory concentration) value of 5 mu g mL(-1).

  DOI：

  10.1016/s0223-5234(97)83290-4
• 作为产物：
  描述：

  cis-[2-(Bromomethyl)-2-(2,4-difluorophenyl)-1,3-dioxolan-4-yl]methyl benzoate 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 96.5h， 生成 cis-2-(2,4-Difluorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolane-4-methanol
  参考文献：
  名称：

  Synthesis, antifungal activity and structure-activity relationships of 2-(alkyl or aryl)-2-(alkyl or polyazol-1-ylmethyl)-4-(polyazol-1-ylmethyl)-1, 3-dioxolanes

  摘要：

  A series of 2-(alkyl or aryl)-2-(alkyl or polyazol-1-ylmethyl)-4-(polyazol-1-ylmethyl)-1,3-dioxolanes Ia-u was synthesized and tested in vitro against pathogenic fungi in man, animals and plants: Candida albicans, Aspergillus flavus and Fusarium solani. Compounds Iq-t with two polyazol groups have an in vitro activity against these fungi with MIC (minimum inhibitory concentration) value of 5 mu g mL(-1).

  DOI：

  10.1016/s0223-5234(97)83290-4

文献信息

• Chapman, David R.; Bauer, Ludwig, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 7, p. 2053 - 2061
  作者：Chapman, David R.、Bauer, Ludwig

  DOI：——

  日期：——
• CHAPMAN, DAVID R.;BAUER, LUDWIG, J. HETEROCYCL. CHEM., 27,(1990) N, C. 2053-2061
  作者：CHAPMAN, DAVID R.、BAUER, LUDWIG

  DOI：——

  日期：——
• ANTIFUNGAL AZOLE DERIVATIVES HAVING A FLUORINATED VINYL GROUP AND PROCESS FOR PREPARING SAME
  申请人：Korea Research Institute of Chemical Technology

  公开号：EP1144406B1

  公开（公告）日：2003-07-30
• Synthesis, antifungal activity and structure-activity relationships of 2-(alkyl or aryl)-2-(alkyl or polyazol-1-ylmethyl)-4-(polyazol-1-ylmethyl)-1, 3-dioxolanes
  作者：H Baji、Tan Kimny、F Gasquez、M Flammang、P.L. Compagnon、A Delcourt、G Mathieu、B Viossat、G Morgant、D Nguyen-Huy

  DOI：10.1016/s0223-5234(97)83290-4

  日期：1997.7

  A series of 2-(alkyl or aryl)-2-(alkyl or polyazol-1-ylmethyl)-4-(polyazol-1-ylmethyl)-1,3-dioxolanes Ia-u was synthesized and tested in vitro against pathogenic fungi in man, animals and plants: Candida albicans, Aspergillus flavus and Fusarium solani. Compounds Iq-t with two polyazol groups have an in vitro activity against these fungi with MIC (minimum inhibitory concentration) value of 5 mu g mL(-1).