1-butyl-3-methylimidazolium chloride | 286014-32-2

• 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-butyl-3-methylimidazolium chloride
• 英文别名: [(1-butyl-3-methylimidazolium)]Cl；1-tert-butyl-3-methylimidazol-3-ium;chloride
• CAS: 286014-32-2
• 化学式: C₈H₁₅N₂*Cl
• 分子量: 174.673
• InChiKey: XRVNQWYDYFNHNO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.93
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  8.81
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  methoxy(cyclooctadiene)rhodium(I) dimer 、 1-butyl-3-methylimidazolium chloride 以 二氯甲烷 为溶剂， 生成 chloro(η4-1,5-cyclooctadiene)(1-butyl-3-methylimidazoline-2-ylidene)rhodium(I)
  参考文献：
  名称：

  Structure and catalytic activity of rhodium(I) carbene complexes in polymerization of phenylacetylene

  摘要：

  Rh(I) carbene complexes of [RhX(bmim)(eta(4)-1,5-cod)] type (bmim = 1-butyl-3-methyl imidazolium cation, X = Cl 2, Br 3, I 4), obtained in the reaction of [Rh(OMe)(eta(4)-1,5-cod)](2) (1) with [bmim]X ionic liquids, catalyzed polymerization of phenylacetylene (PA) to cis-polyphenylacetylene (PPA) in CH2Cl2 and in ionic liquids. The yield of PPA increased and molecular weight (M-w) decreased after addition of phosphorus ligands PPh3 or P(OPh)(3). Complex 4 reacted with P(OPh)(3) giving cis-[RhI(bmim)(P(PPh)(3))(2)](5) complex which catalyzed oligomerization but not polymerization of PA. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.11.011

文献信息

• (CrCl₃)₃@2[C₄mim][OMe]—Molecular Cluster-Type Chromium(III) Chloride Stabilized in a Salt Matrix
  作者：Bert Mallick、Harald Kierspel、Anja-Verena Mudring

  DOI：10.1021/ja803322k

  日期：2008.8.1

  In [C(4)mim](2)[CrCl3][OMe](2) molecular (CrCl3)(3) units are embedded in a salt matrix of [C(4)mim][OMe]. This structural subunit can be viewed as a trapped molecular polymorph of CrCl3. Experimental and theoretical investigations indicate that, in contrast to bulk CrCl3, metal-metal bonds are formed at low temperatures.