1-propyl-3-methylbenzimidazol-2-ylium iodide | 108410-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-propyl-3-methylbenzimidazol-2-ylium iodide
• 英文别名: 1-propyl-1-methylbenzimidazolium iodide
• CAS: 108410-40-8
• 化学式: C₁₁H₁₅N₂*I
• 分子量: 302.158
• InChiKey: KPJOSGLWIFHTNL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.33
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  9.86
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-propyl-3-methylbenzimidazol-2-ylium iodide 以 二甲基亚砜 、 乙腈 为溶剂， 生成 di-μ-isopropylthiolatotetrakis(1-propyl-3-methylbenzimidazolin-2-ylidene)palladium(II) tetrafluoroborate
  参考文献：
  名称：

  Dipalladium Bis(μ-isopropylthiolato) Complexes with a [Pd₂S₂] Core Supported by N-Heterocyclic Carbenes

  摘要：

  The reaction of Pd(OAc)(2) with 1,3-dibenzylbenzimidazolium bromide (A) and 1-propyl-3-methylbenzimidazolium iodide (B) afforded the dihalo-bis(carbene) complexes cis- [PdBr2(Bz(2)-bimy)(2)] (1) and cis-[PdI2 Pr,Me-bimy)(2)] (2), respectively. Halide substitution of 1 and 2 with AgO2CCH3 gave the mixed diacetato-bis(carbene) complexes cis- [Pd(O2CCH3)(2)(Bz(2)-bimy)(2)] (3) and cis-[Pd(O2CCH3)(2)(Pr,Me-bimy)(2)] (4). In situ deprotonation of isopropylthiol with the mixed carbene-carboxylato complexes 3 and 4 yielded the novel dipalladium complexes [Pd-2(mu-iPr-S)(2)(Bz(2)-bimy)(4)](BF4)(2) (5) and [Pd-2(mu-iPr-S)(2)(Pr,Me-bimy)(4)](BF4)(2) (6) with a [Pd2S2] core solely supported by N-heterocyclic carbenes. All compounds have been fully characterized by multinuclei NMR spectroscopies and ESI mass spectrometry. The solid state molecular structures of complexes 2, 3, 5, and 6 have also been confirmed by X-ray diffraction studies.

  DOI：

  10.1021/om700867e

文献信息

• Synthesis and Structural Characterization of the First Bis(benzimidazolin-2-ylidene) Complexes of Nickel(II)
  作者：Han Vinh Huynh、Christian Holtgrewe、Tania Pape、Lip Lin Koh、Ekkehardt Hahn

  DOI：10.1021/om050781i

  日期：2006.1.1

  bromide (3), 1-(2-propenyl)-3-methylbenzimidazolium bromide (6), and 1-propyl-3-methylbenzimidazolium iodide (7) in molten [Bu4N]X (X = Br, I, BF4) as ionic liquid afforded novel square-planar nickel(II) bis(benzimidazolin-2-ylidene) complexes of the general formula trans-[NiX2(NHC)2] (X = I, NHC = 1,3-dimethylbenzimidazolin-2-ylidene, 8; X = Br, NHC = 1,3-bis(2-propenyl)benzimidazolin-2-ylidene, 9;

  Ni（OAc）2与苯并咪唑鎓盐1,3-二甲基苯并咪唑鎓碘化物（1），1,3-双（2-丙烯基）苯并咪唑鎓溴化物（2），1,3-二丙基苯并咪唑鎓溴化物（3），1-的反应（2-丙烯基）-3-甲基苯并咪唑鎓溴化物（6）和1-丙基-3-甲基苯并咪唑鎓碘化物（7）在熔融的[Bu 4 N] X（X = Br，I，BF 4）作为离子液体的情况下，得到新颖的正方形式反式- [NiX 2（NHC）2 ]的X-平面镍（II）双（苯并咪唑啉-2-亚烷基）络合物（X = I，NHC = 1,3-二甲基苯并咪唑啉-2-亚烷基，8; X ＝ Br，NHC ＝ 1，3-双（2-丙烯基）苯并咪唑啉-2-亚烷基，9； n ＝ 1。X = Br，NHC = 1,3-二丙基苯并咪唑啉-2-亚甲基，10；X = Br，NHC = 1-（2-丙烯基）-3-甲基苯并咪唑啉-2-亚烷基，11 ; X ＝ 1，NHC ＝ 1-丙基-3-甲