(2,2-Difluoro-cyclopropoxymethyl)-benzene | 811431-41-1

• 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: (2,2-Difluoro-cyclopropoxymethyl)-benzene
• 英文别名: ((2,2-Difluorocyclopropoxy)methyl)benzene；(2,2-difluorocyclopropyl)oxymethylbenzene
• CAS: 811431-41-1
• 化学式: C₁₀H₁₀F₂O
• 分子量: 184.186
• InChiKey: MDPXEEPCLUIROI-UHFFFAOYSA-N

物化性质

• 沸点：
  214.3±40.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.61
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (2,2-Difluoro-cyclopropoxymethyl)-benzene 在 palladium dihydroxide 氢气 作用下， 以100%的产率得到difluorocyclopropanol
  参考文献：
  名称：

  Inactivation of S-adenosylhomocysteine hydrolase with haloethyl and dihalocyclopropyl esters derived from homoadenosine-6′-carboxylic acid

  摘要：

  In a search for new inhibitors that exploit 5'-6' `hydrolytic activity' of AdoHcy hydrolase, a new series of haloethyl and dihalocyclopropyl esters 2-3 were designed and their interaction with the enzyme studied. Incubation of the enzyme with 2-3 resulted in time- and concentration-dependent inactivation of AdoHcy hydrolase as well as almost total depletion of its NAD+ content. Further results indicated that the `oxidative' but not the `hydrolytic' activity was involved in the inactivation process. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.050
• 作为产物：
  描述：

  苯甲醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 mercury(II) trifluoroacetate 作用下， 以 二乙二醇二甲醚 为溶剂， 生成 (2,2-Difluoro-cyclopropoxymethyl)-benzene
  参考文献：
  名称：

  Inactivation of S-adenosylhomocysteine hydrolase with haloethyl and dihalocyclopropyl esters derived from homoadenosine-6′-carboxylic acid

  摘要：

  In a search for new inhibitors that exploit 5'-6' `hydrolytic activity' of AdoHcy hydrolase, a new series of haloethyl and dihalocyclopropyl esters 2-3 were designed and their interaction with the enzyme studied. Incubation of the enzyme with 2-3 resulted in time- and concentration-dependent inactivation of AdoHcy hydrolase as well as almost total depletion of its NAD+ content. Further results indicated that the `oxidative' but not the `hydrolytic' activity was involved in the inactivation process. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.050