1,3-dihydro-1-[2,6-bis(1-methylethyl)phenyl]-3-methyl-2H-imidazol-2.thione | 1184635-07-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3-dihydro-1-[2,6-bis(1-methylethyl)phenyl]-3-methyl-2H-imidazol-2.thione
• CAS: 1184635-07-1
• 化学式: C₁₆H₂₂N₂S
• 分子量: 274.43
• InChiKey: CBOSUDUFQVRODU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.79
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  9.86
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  bis(1-[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-3-methyl-2-H-imidazol-2-ylidene)copper(1+) hexafluorophosphate(1-) (1:1) 、 sulfur 以 氯仿 为溶剂， 反应 16.0h， 以100%的产率得到1,3-dihydro-1-[2,6-bis(1-methylethyl)phenyl]-3-methyl-2H-imidazol-2.thione
  参考文献：
  名称：

  （碳）铜（I）配合物的合成，结构多样性和配体转移势

  摘要：

  Abstractmagnified imageCopper(I) complexes comprising different N‐heterocyclic carbene ligands were prepared via in situ deprotonation and metallation. Depending on the wingtip groups on the carbene ligand (alkyl vs. aryl, chelating or monodentate), a variety of different structural motifs were identified, such as a trigonal planar geometry (alkyl wingtips) and an unprecedented see‐saw‐type structure (pyridinyl wingtip groups). While aryl wingtip groups increase the stability of the complexes, alkyl substituents induce rapid demetallation in the presence of moisture. The reactivity of these complexes was used to establish a carbene‐transfer protocol, which is illustrated by the formation of new cyclic thiourea compounds (transfer to sulfur) and new (carbene)ruthenium(II) complexes (transfer to ruthenium). This suggests that (carbene)copper(I) complexes could become valuable alternatives to (carbene)silver(I) complexes for synthesizing (carbene)metal systems via transmetallation.

  DOI：

  10.1002/hlca.200800406