1-(thiophen-2-ylmethyl)-4,7-diisopropyl-1,4,7-triazacyclononane | 1168137-50-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(thiophen-2-ylmethyl)-4,7-diisopropyl-1,4,7-triazacyclononane
• 英文别名: (thiophene)(iPr)2[9]aneN3；1,4-Di(propan-2-yl)-7-(thiophen-2-ylmethyl)-1,4,7-triazonane；1,4-di(propan-2-yl)-7-(thiophen-2-ylmethyl)-1,4,7-triazonane
• CAS: 1168137-50-5
• 化学式: C₁₇H₃₁N₃S
• 分子量: 309.519
• InChiKey: FOQMRSWNPXVNHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  38
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二氯甲烷 、 1-(thiophen-2-ylmethyl)-4,7-diisopropyl-1,4,7-triazacyclononane 、 iron(II) chloride 以 四氢呋喃 为溶剂， 以25.3%的产率得到[Fe(η3-1-(thiophen-2-ylmethyl)-4,7-diisopropyl-1,4,7-triazacyclononane)(Cl)2]*(dichloromethane)
  参考文献：
  名称：

  New N-monofunctionalised 1,4,7-triazacyclononane complexes of iron

  摘要：

  A series of 1,4,7-triazacyclononane derivatives of Fe(II) been investigated where changing the functionality of a pendant group has created different Fe(II) coordination environments. New examples of triazacyclononane supported iron dibromide complexes are presented as well as an iron complex bearing a novel 1,4,7-triazacyclononane containing a thiophene pendant-arm. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.02.015

文献信息

• New N-monofunctionalised 1,4,7-triazacyclononane complexes of iron
  作者：Patrick C. McGowan、Claire N. Temple

  DOI：10.1016/j.ica.2009.02.015

  日期：2009.7

  A series of 1,4,7-triazacyclononane derivatives of Fe(II) been investigated where changing the functionality of a pendant group has created different Fe(II) coordination environments. New examples of triazacyclononane supported iron dibromide complexes are presented as well as an iron complex bearing a novel 1,4,7-triazacyclononane containing a thiophene pendant-arm. (C) 2009 Elsevier B. V. All rights reserved.