2-(1-ethyl-1H-imidazol-2-ylmethyl)-2-(1-methyl-1H-imidazol-2-ylmethyl)propane-1,3-diol | 877677-28-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(1-ethyl-1H-imidazol-2-ylmethyl)-2-(1-methyl-1H-imidazol-2-ylmethyl)propane-1,3-diol
• 英文别名: 2-[(1-Ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol；2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol
• CAS: 877677-28-6
• 化学式: C₁₄H₂₂N₄O₂
• 分子量: 278.354
• InChiKey: WLHSMJKQNDSNCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  76.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(1-ethyl-1H-imidazol-2-ylmethyl)-2-(1-methyl-1H-imidazol-2-ylmethyl)propane-1,3-diol 在 三溴化磷 作用下， 以 甲苯 为溶剂， 反应 96.0h， 生成 (1-ethyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazolium)-6-spiro-6'-(1'-methyl-1',5',6',7'-tetrahydropyrrolo[1',2'-a]imidazolium) dibromide
  参考文献：
  名称：

  Design and Synthesis of Novel Chiral Spiro Ionic Liquids

  摘要：

  Novel chiral imidazolium salts have been synthesized as examples of chiral ionic liquids with a spiro skeleton. Effects of N-substituents and counteranions on the melting point of spiro imidazolium salts and their chiral discrimination abilities are described.

  DOI：

  10.1021/ol052466y
• 作为产物：
  描述：

  2-(chloromethyl)-1-ethyl-1H-imidazole hydrochloride 在 lithium aluminium tetrahydride 、 sodium hydride 、 sodium iodide 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 2-(1-ethyl-1H-imidazol-2-ylmethyl)-2-(1-methyl-1H-imidazol-2-ylmethyl)propane-1,3-diol
  参考文献：
  名称：

  Design and Synthesis of Novel Chiral Spiro Ionic Liquids

  摘要：

  Novel chiral imidazolium salts have been synthesized as examples of chiral ionic liquids with a spiro skeleton. Effects of N-substituents and counteranions on the melting point of spiro imidazolium salts and their chiral discrimination abilities are described.

  DOI：

  10.1021/ol052466y

文献信息

• Synthesis of novel spiro imidazolium salts as chiral ionic liquids
  作者：Mahesh L. Patil、C.V. Laxman Rao、Shinobu Takizawa、Kazuhiro Takenaka、Kiyotaka Onitsuka、Hiroaki Sasai

  DOI：10.1016/j.tet.2007.10.002

  日期：2007.12

  A library of 13 novel chiral spiro imidazolium salts has been synthesized. The effects of N-substituents and counteranions on the melting point of spiro bis(imidazolium) salts are studied in efforts toward the development of room temperature chiral ionic liquids.

  已合成了13种新型手性螺咪唑鎓盐的文库。为了开发室温手性离子液体，研究了N-取代基和抗衡阴离子对螺双（咪唑鎓）盐熔点的影响。