N1,N2-bis(42-(3-methoxyphenyl)-1,4(1,4)-dibenzenacyclohexaphane-12-yl)ethane-1,2-diimine | 1029694-04-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N1,N2-bis(42-(3-methoxyphenyl)-1,4(1,4)-dibenzenacyclohexaphane-12-yl)ethane-1,2-diimine
• CAS: 1029694-04-9
• 化学式: C₄₈H₄₄N₂O₂
• 分子量: 680.89
• InChiKey: XMLRXDJNUSIDOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.91
• 重原子数：
  52.0
• 可旋转键数：
  7.0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  43.18
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  特戊酸氯甲酯 、 N1,N2-bis(42-(3-methoxyphenyl)-1,4(1,4)-dibenzenacyclohexaphane-12-yl)ethane-1,2-diimine 、 silver trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 反应 8.75h， 以54%的产率得到N,N'-bis[(4R(p),13S(p))-13-(3-methoxyphenyl)-4-[2.2]paracyclophanyl]imidazolium trifluoromethanesulfonate
  参考文献：
  名称：

  Planar chiral imidazolium salts based on [2.2]paracyclophane in the asymmetric rhodium-catalyzed 1,2-addition of arylboronic acids to aldehydes

  摘要：

  A series of planar chiral imidazolium salts derived from [2.2]paracyclophane have been synthesized and characterized. By using these imidazolium salts as carbene precursors, the Rh-catalyzed 1,2-addition of arylboronic acids to aldehydes proceeded readily with low catalyst loadings (0.03-0.3 mol %) and gave a variety of chiral diarylmethanols in excellent yields and moderate enantioselectivities. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.01.025
• 作为产物：
  描述：

  (4S_p,13R_p)-4-amino-13-(3-methoxyphenyl)[2.2]paracyclophane 、 草酸醛 以 四氢呋喃 、 水 为溶剂， 反应 5.0h， 生成 N1,N2-bis(42-(3-methoxyphenyl)-1,4(1,4)-dibenzenacyclohexaphane-12-yl)ethane-1,2-diimine
  参考文献：
  名称：

  Planar chiral imidazolium salts based on [2.2]paracyclophane in the asymmetric rhodium-catalyzed 1,2-addition of arylboronic acids to aldehydes

  摘要：

  A series of planar chiral imidazolium salts derived from [2.2]paracyclophane have been synthesized and characterized. By using these imidazolium salts as carbene precursors, the Rh-catalyzed 1,2-addition of arylboronic acids to aldehydes proceeded readily with low catalyst loadings (0.03-0.3 mol %) and gave a variety of chiral diarylmethanols in excellent yields and moderate enantioselectivities. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.01.025