1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole
• 英文别名: 3,3'-(2,2'-biimidazole-1,1'-diyl)dipropionohydrazide；1,1'-Di(hydrazinopropanoyl)-2,2'-biimidazole；3-[2-[1-(3-hydrazinyl-3-oxopropyl)imidazol-2-yl]imidazol-1-yl]propanehydrazide
• 化学式: C₁₂H₁₈N₈O₂
• 分子量: 306.327
• InChiKey: MSCVVFPKBMMOSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  146
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,1'-di[2-(ethoxycarbonyl)ethyl]-2,2'-biimidazole 在 肼 作用下， 反应 72.0h， 以78%的产率得到1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole
  参考文献：
  名称：

  1,1′-Di(hydrazinocarbonylmethyl)-2,2′-biimidazole monohydrate and 1,1′-di[2-(hydrazinocarbonyl)ethyl]-2,2′-biimidazole

  摘要：

  The crystal structures of the title compounds, alternatively called 2,2'-(2,2'-biimidazole-1,1'-diyl)diacetohydrazide monohydrate, C10H14N8O2.H2O, (I), and 3,3'-(2,2'-biimidazole-1,10 diyl)dipropionohydrazide, C12H18N8O2, (II), respectively, have been determined. The molecules consist of half-molecule asymmetric units related by a twofold rotation in (I) and by a center of inversion in (II). The imidazole rings of both molecules crystallize in a nearly coplanar fashion [dihedral angles of 5.91 (3) and 0.0 (1)degrees for (I) and (II), respectively]. Both planar hydrazinocarbonylalkyl substituents are essentially planar and assume the E orientation.

  DOI：

  10.1107/s0108270102013458

文献信息

• 1,1′-Di(hydrazinocarbonylmethyl)-2,2′-biimidazole monohydrate and 1,1′-di[2-(hydrazinocarbonyl)ethyl]-2,2′-biimidazole
  作者：W. Mark Barnett、Russell G. Baughman、Paula M. Secondo、Charles J. Hermansen

  DOI：10.1107/s0108270102013458

  日期：2002.9.15

  The crystal structures of the title compounds, alternatively called 2,2'-(2,2'-biimidazole-1,1'-diyl)diacetohydrazide monohydrate, C10H14N8O2.H2O, (I), and 3,3'-(2,2'-biimidazole-1,10 diyl)dipropionohydrazide, C12H18N8O2, (II), respectively, have been determined. The molecules consist of half-molecule asymmetric units related by a twofold rotation in (I) and by a center of inversion in (II). The imidazole rings of both molecules crystallize in a nearly coplanar fashion [dihedral angles of 5.91 (3) and 0.0 (1)degrees for (I) and (II), respectively]. Both planar hydrazinocarbonylalkyl substituents are essentially planar and assume the E orientation.