Magnesium, bromo(2-methyl-1H-indol-3-yl)- | 142502-30-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Magnesium, bromo(2-methyl-1H-indol-3-yl)-
• 英文别名: 2-methylindolyl magnesium bromide
• CAS: 142502-30-5
• 化学式: C₉H₈BrMgN
• 分子量: 234.378
• InChiKey: DHKWSOTULYUXOJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.12
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  15.79
• 氢给体数：
  1.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  Magnesium, bromo(2-methyl-1H-indol-3-yl)- 、 6α-benzoyloxy-7α-benzyloxymethyl-9-methyl-5-tosyl-5,6β,6aβ,7β,8,10aβ-hexahydroindeno<2,1-b>indole 以 苯 为溶剂， 反应 0.5h， 以79%的产率得到7α-benzyloxymethyl-9-methyl-6β-(2'-methylindol-3'-yl)-5-tosyl-5,6α,6aβ,7β,8,10aβ-hexahydroindeno<2,1-b>indole
  参考文献：
  名称：

  Structure-function relationship of Yuehchukene II. The effect of C-6 indole rotation on anti-implantation activity

  摘要：

  In a first attempts to define the structural requirements for the expression of anti-implantation activity in Yuehchukene (YCK), it was found that the relative position or planarity of the aromatic centres may be crucial. New synthetic routes leading to analogues with modification of C-7 substituents were established. Results indicated that a bulky group at C-7 that served to restrict the rotation of the C-6 indole was indispensable. Further steric hindrance by 2'-methyl would increase potency in all weak analogues. It was concluded that YCK required an optimal conformation that was defined by a narrowly-fixed angle between the, planes of the C-6 indole and the tetracyclic unit.

  DOI：

  10.1016/0223-5234(92)90100-f

文献信息

• Fan, Ping; Pan, Guilan; Huang, Zhennian, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2000, vol. 345, p. 33 - 38
  作者：Fan, Ping、Pan, Guilan、Huang, Zhennian、Ming, Yangfu、Fan, M. G.

  DOI：——

  日期：——