1-diphenylmethyl-3-methylimidazolin-2-ylidene | 947519-26-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-diphenylmethyl-3-methylimidazolin-2-ylidene
• 英文别名: 1-benzhydryl-3-methyl-2H-imidazol-3-ium-2-ide
• CAS: 947519-26-8
• 化学式: C₁₇H₁₆N₂
• 分子量: 248.327
• InChiKey: LXXIWLONDKNHBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  6.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-diphenylmethyl-3-methylimidazolin-2-ylidene 、 [(Pd(μ-Cl)(κ(2)-P,C-P(OC6H2-2,4-tBu2)(OC6H3-2,4-tBu2)2))2] 以 四氢呋喃 、 甲苯 为溶剂， 以63%的产率得到chloro-(1-diphenylmethyl-3-methylimidazolin-2-ylidene)[2-[[bis[2,4-di-tert-butylphenoxy]phosphino-κP]oxy]-3,5-di-tert-butylphenyl-κC]palladium(II)
  参考文献：
  名称：

  Preparation of NHC-substituted phosphitepalladacycles

  摘要：

  The preparation of unsaturated NHC-substituted phosphitepalladacycles via phosphitepalladacycle acetato and chloro precursors and azoliurn salts with non-coordinating anions in DMSO is reported. With this one-pot synthesis NHC-substituted phosphitepalladacycles are obtained avoiding multi-step reactions. The molecular structures of an acetate-bridged phosphitepalladacycle dimer, an unsaturated NHC-substituted palladacyclic complex and one acetylacetonato phosphapalladacycle complex have been determined by single-crystal X-ray analysis. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.03.020