[2-(4-氯苯基)-2-甲基-1,3-二氧戊环-4-基]甲醇 | 1206-38-8

• 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-(4-氯苯基)-2-甲基-1,3-二氧戊环-4-基]甲醇
• 英文名称: 2-Methyl-2-(p-chlor-phenyl)-4-hydroxymethyl-1.3-dioxolan
• 英文别名: 1,3-Dioxolan-4-methanol, 2-(p-chlorophenyl)-2-methyl-；[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
• CAS: 1206-38-8
• 化学式: C₁₁H₁₃ClO₃
• 分子量: 228.675
• InChiKey: IPYOCBWUDXJNGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  [2-(4-氯苯基)-2-甲基-1,3-二氧戊环-4-基]甲醇 在 吡啶 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 64.0h， 生成 1-(2,4-Dichloro-phenyl)-2-imidazol-1-yl-ethanone O-[2-(4-chloro-phenyl)-2-methyl-[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：

  对氯苯乙酮 、 甘油 在 对甲苯磺酸 作用下， 以 甲苯 、 正丁醇 为溶剂， 反应 24.0h， 生成 [2-(4-氯苯基)-2-甲基-1,3-二氧戊环-4-基]甲醇
  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

• 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.
• 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).