2-(4-isopropyl-5-methylhex-3-en-1-yl)-2-(pent-4-yn-1-yl)propane-1,3-diol | 930116-67-9

• 分子结构分类: 有机化合物
• 英文名称: 2-(4-isopropyl-5-methylhex-3-en-1-yl)-2-(pent-4-yn-1-yl)propane-1,3-diol
• 英文别名: 2-(5-Methyl-4-propan-2-ylhex-3-enyl)-2-pent-4-ynylpropane-1,3-diol
• CAS: 930116-67-9
• 化学式: C₁₈H₃₂O₂
• 分子量: 280.451
• InChiKey: FTMKVRDKZIGFMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-isopropyl-5-methylhex-3-en-1-yl)-2-(pent-4-yn-1-yl)propane-1,3-diol 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成
  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-(5-methyl-4-propan-2-ylhex-3-enyl)propanedioate 在 lithium aluminium tetrahydride 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-(4-isopropyl-5-methylhex-3-en-1-yl)-2-(pent-4-yn-1-yl)propane-1,3-diol
  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

文献信息

• Enantioselective Synthesis of Spiro (Isoxazole-Isoxazoline) Hybrid Ligand
  作者：Hiroaki Sasai、Bijan Mohon Chaki、Kazuhiko Wakita、Shinobu Takizawa、Kazuhiro Takenaka

  DOI：10.3987/com-18-s(t)41

  日期：——

  Enantioselective synthesis of chiral spiro hybrid ligand (R,S)-1 possessing isoxazole and isoxazoline rings as coordination sites was accomplished through a process involving desymmetrized intermediate 5. The key intermediate 5 was readily obtained via chiral Cu-catalyzed mono-acylation of 1,3-diol 3 or enzymatic mono-deacylation of diester 6.