2-(hex-4-yn-1-yl)-2-(4-methylpent-3-en-1-yl)malonaldehyde dioxime | 930116-62-4

• 分子结构分类: 有机化合物
• 英文名称: 2-(hex-4-yn-1-yl)-2-(4-methylpent-3-en-1-yl)malonaldehyde dioxime
• CAS: 930116-62-4
• 化学式: C₁₅H₂₄N₂O₂
• 分子量: 264.368
• InChiKey: DBIVWVQWLXAIHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.83
• 重原子数：
  19.0
• 可旋转键数：
  8.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  65.18
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(hex-4-yn-1-yl)-2-(4-methylpent-3-en-1-yl)malonaldehyde dioxime 在 sodium hypochlorite 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 (RS,SR)-3,3',3'-trimethyl-3',3a',4',5,5',6-hexahydro-4H-spiro[2,1-benzisoxazole-7,6'-cyclopenta[c]isoxazole] 、 (RS,RS)-3,3',3'-trimethyl-3',3a',4',5,5',6-hexahydro-4H-spiro[2,1-benzisoxazole-7,6'-cyclopenta[c]isoxazole]
  参考文献：
  名称：

  Design and synthesis of chiral hybrid spiro (isoxazole–isoxazoline) ligands

  摘要：

  Novel chiral hybrid ligands containing an unsymmetrical spiro[4.5]decane skeleton with isoxazole and isoxazoline as the two coordinating units have been synthesized. Pd complexes of these ligands were found to be effective in activating olefins towards enantioselective tandem cyclization of a dialkenyl alcohol, providing the cyclized products in up to 97% ee. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.04.010
• 作为产物：
  描述：

  Diethyl 2-hex-4-ynyl-2-(4-methylpent-3-enyl)propanedioate 在 吡啶 、 lithium aluminium tetrahydride 、 草酰氯 、 盐酸羟胺 、 二甲基亚砜 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 2-(hex-4-yn-1-yl)-2-(4-methylpent-3-en-1-yl)malonaldehyde dioxime
  参考文献：
  名称：

  Design and synthesis of chiral hybrid spiro (isoxazole–isoxazoline) ligands

  摘要：

  Novel chiral hybrid ligands containing an unsymmetrical spiro[4.5]decane skeleton with isoxazole and isoxazoline as the two coordinating units have been synthesized. Pd complexes of these ligands were found to be effective in activating olefins towards enantioselective tandem cyclization of a dialkenyl alcohol, providing the cyclized products in up to 97% ee. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.04.010