3-hydroxy-2,3-dimethylenanthonitrile | 831239-09-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-hydroxy-2,3-dimethylenanthonitrile
• 英文别名: Heptanenitrile, 3-hydroxy-2,3-dimethyl-；3-hydroxy-2,3-dimethylheptanenitrile
• CAS: 831239-09-9
• 化学式: C₉H₁₇NO
• 分子量: 155.24
• InChiKey: IPAGSNRYZMHQTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-己酮 、 2-溴丙腈 在 五羰基铁 、 三氯溴甲烷 作用下， 以 苯 为溶剂， 以79%的产率得到3-hydroxy-2,3-dimethylenanthonitrile
  参考文献：
  名称：

  Addition of α-Halo-substituted Carbonitriles to and AldehydesKetones in the Presence of Iron Pentacarbonyl

  摘要：

  Halo-substituted carbonitriles in the presence of iron pentacarbonyl react with aldehydes and ketones by Reformatsky reaction type. In contract to halo-substituted esters the nitriles are considerably more reactive toward ketones than aldehydes. At the same time the structure and yield of products obtained from both nitriles and esters are strongly and similarly affected by the character of the para-substituents in the benzaldehyde.

  DOI：

  10.1023/b:rujo.0000034937.39138.2a

文献信息

• Addition of α-Halo-substituted Carbonitriles to and AldehydesKetones in the Presence of Iron Pentacarbonyl
  作者：T. T. Vasil'eva、N. A. Kuz'mina、O. V. Chakhovskaya、N. E. Mysova、A. B. Terent'ev

  DOI：10.1023/b:rujo.0000034937.39138.2a

  日期：2004.2

  Halo-substituted carbonitriles in the presence of iron pentacarbonyl react with aldehydes and ketones by Reformatsky reaction type. In contract to halo-substituted esters the nitriles are considerably more reactive toward ketones than aldehydes. At the same time the structure and yield of products obtained from both nitriles and esters are strongly and similarly affected by the character of the para-substituents in the benzaldehyde.