1,3-bis(2,4,6-trimethylphenyl)-2-[(phenylsulfonyl)methyl]imidazolidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 1,3-bis(2,4,6-trimethylphenyl)-2-[(phenylsulfonyl)methyl]imidazolidine
• 英文别名: 2-(Benzenesulfonylmethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine；2-(benzenesulfonylmethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
• 化学式: C₂₈H₃₄N₂O₂S
• 分子量: 462.656
• InChiKey: KVGGLWCTVBDOLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  49
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯甲砜 、 1,3-双(2,4,6-三甲基苯基)-2-咪唑烷亚基 以 甲苯 为溶剂， 反应 20.0h， 以65%的产率得到1,3-bis(2,4,6-trimethylphenyl)-2-[(phenylsulfonyl)methyl]imidazolidine
  参考文献：
  名称：

  C−H Insertion Reactions of Nucleophilic Carbenes

  摘要：

  Syntheses and characterizations are described for C-H insertion products derived from 1,3-dimesityldihydroimidazol-2-ylidene (1) with acetylene. acetonitrile, methyl phenyl sulfone, and chloroform. In the reaction with acetylene, both acetylenic H-atoms are reactive so that 1 : 1 and 2 :1 adducts can be obtained. The acetylene and methyl-phenyl-sulfone adducts are structurally characterized by means of single-crystal X-ray structure determinations. The reactions of 1,3,4,5-tetramethylimidazolidin-2-ylidene (8) with chloroform or chlorodifluoromethane are shown to yield 2-(dihaloalkyl)imidazolium salts that arise from a failure of the intermediate 2-protioimidazolium salt to capture the initially formed halocarbanion.

  DOI：

  10.1002/(sici)1522-2675(19991215)82:12<2348::aid-hlca2348>3.0.co;2-m