2-iodo-1,3-bis(octan-2-yloxy)benzene | 1239913-11-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-iodo-1,3-bis(octan-2-yloxy)benzene
• CAS: 1239913-11-1
• 化学式: C₂₂H₃₇IO₂
• 分子量: 460.439
• InChiKey: QSSGJAVDXMZLAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.77
• 重原子数：
  25.0
• 可旋转键数：
  14.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-iodo-1,3-bis(octan-2-yloxy)benzene 、 (E)-[2-[(trifluoromethanesulfonyl)oxy]-L-heptenyl](phenyl)-iodonium triflate 在 正丁基锂 作用下， 以 乙醚 为溶剂， 反应 4.67h， 生成 2,6-bis(octan-2-yloxy)phenyl(phenyl)iodonium triflate 、 2,6-bis(octan-2-yloxy)phenyl(phenyl)iodonium triflate
  参考文献：
  名称：

  Design and asymmetric synthesis of chiral diaryliodonium salts

  摘要：

  The application of chiral hypervalent iodine reagents in asymmetric synthesis is highly desirable, as the reagents are metal-free, environmentally benign and employed under mild conditions. Three chiral diaryliodonium salts have been designed to provide chemoselectivity and asymmetric induction in asymmetric alpha-phenylation of carbonyl compounds. The synthetic routes to the selected targets are detailed herein, together with a structural investigation into the diastereoselectivity of the alkylation process. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.05.004
• 作为产物：
  描述：

  仲辛醇 、 2-碘苯-1,3-二醇 在 偶氮二甲酸二异丙酯 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 以33%的产率得到2-iodo-1,3-bis(octan-2-yloxy)benzene
  参考文献：
  名称：

  Design and asymmetric synthesis of chiral diaryliodonium salts

  摘要：

  The application of chiral hypervalent iodine reagents in asymmetric synthesis is highly desirable, as the reagents are metal-free, environmentally benign and employed under mild conditions. Three chiral diaryliodonium salts have been designed to provide chemoselectivity and asymmetric induction in asymmetric alpha-phenylation of carbonyl compounds. The synthetic routes to the selected targets are detailed herein, together with a structural investigation into the diastereoselectivity of the alkylation process. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.05.004